# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_THF
_database_code_depnum_ccdc_archive 'CCDC 1575025'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-11-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C120 H124 Cl Cu N O8 P6 Pt2'
_chemical_formula_weight         2383.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   15.2879(18)
_cell_length_b                   25.337(3)
_cell_length_c                   28.373(4)
_cell_angle_alpha                90
_cell_angle_beta                 94.403(3)
_cell_angle_gamma                90
_cell_volume                     10958(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    31024
_cell_measurement_theta_min      2.0516
_cell_measurement_theta_max      27.4739

_exptl_crystal_description       Bloc
_exptl_crystal_colour            Green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_F_000             4828
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    2.908
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.422
_exptl_absorpt_correction_T_max  0.483
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            86151
_diffrn_reflns_av_unetI/netI     0.0543
_diffrn_reflns_av_R_equivalents  0.0563
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.158
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             19166
_reflns_number_gt                15983
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0617P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19166
_refine_ls_number_parameters     1335
_refine_ls_number_restraints     225
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0465
_refine_ls_wR_factor_ref         0.1240
_refine_ls_wR_factor_gt          0.1098
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.89434(2) 0.43013(2) 0.66222(2) 0.04024(8) Uani 1 1 d . . . . .
Pt2 Pt 0.98028(2) 0.39787(2) 0.85143(2) 0.04092(8) Uani 1 1 d . . . . .
Cu1 Cu 0.92377(5) 0.37100(3) 0.75103(3) 0.0579(2) Uani 1 1 d . . . . .
P1 P 1.02947(11) 0.40573(6) 0.63789(6) 0.0436(4) Uani 1 1 d . . . . .
P2 P 1.06084(10) 0.35091(6) 0.73600(5) 0.0418(3) Uani 1 1 d . . . . .
P3 P 1.12573(11) 0.40044(6) 0.83385(6) 0.0430(3) Uani 1 1 d . . . . .
P4 P 0.75728(11) 0.45464(6) 0.68313(6) 0.0444(4) Uani 1 1 d . . . . .
P5 P 0.78476(11) 0.37811(6) 0.76886(6) 0.0443(4) Uani 1 1 d . . . . .
P6 P 0.83741(11) 0.40160(6) 0.87286(6) 0.0431(4) Uani 1 1 d . . . . .
O01 O 1.2244(8) 0.1396(5) 0.9938(5) 0.210(5) Uani 1 1 d . . . . .
O02 O 0.7142(9) 0.6257(5) 0.5548(7) 0.190(6) Uani 1 1 d . . . . .
N1 N 1.0097(3) 0.57116(18) 0.77350(18) 0.0482(12) Uani 1 1 d . . . . .
H1A H 0.989253 0.539647 0.770113 0.058 Uiso 1 1 calc R U . . .
C1 C 1.0867(5) 0.4567(3) 0.6069(2) 0.0531(16) Uani 1 1 d . . . . .
C01 C 1.2170(10) 0.1669(7) 1.0335(6) 0.186(8) Uani 1 1 d . . . . .
H01A H 1.228815 0.143990 1.060570 0.223 Uiso 1 1 calc R U . . .
H01B H 1.259847 0.195234 1.035537 0.223 Uiso 1 1 calc R U . . .
C2 C 1.0405(5) 0.4873(3) 0.5738(3) 0.067(2) Uani 1 1 d . . . . .
H2A H 0.980427 0.481871 0.568133 0.080 Uiso 1 1 calc R U . . .
C02 C 1.1371(13) 0.1870(8) 1.0341(6) 0.228(11) Uani 1 1 d . . . . .
H02A H 1.140690 0.224349 1.041294 0.274 Uiso 1 1 calc R U . . .
H02B H 1.105956 0.169688 1.058288 0.274 Uiso 1 1 calc R U . . .
C3 C 1.0802(7) 0.5260(3) 0.5488(3) 0.092(3) Uani 1 1 d . . . . .
H3A H 1.047151 0.545543 0.526175 0.111 Uiso 1 1 calc R U . . .
C03 C 1.0915(13) 0.1794(8) 0.9895(7) 0.225(10) Uani 1 1 d . . . . .
H03A H 1.035607 0.162182 0.992681 0.271 Uiso 1 1 calc R U . . .
H03B H 1.081125 0.212839 0.973380 0.271 Uiso 1 1 calc R U . . .
C4 C 1.1675(8) 0.5356(4) 0.5570(4) 0.108(4) Uani 1 1 d . . . . .
H4A H 1.194916 0.561852 0.540538 0.129 Uiso 1 1 calc R U . . .
C04 C 1.1429(12) 0.1494(10) 0.9663(6) 0.228(10) Uani 1 1 d . . . . .
H04A H 1.154672 0.166517 0.936886 0.273 Uiso 1 1 calc R U . . .
H04B H 1.113708 0.116166 0.958758 0.273 Uiso 1 1 calc R U . . .
C5 C 1.2127(7) 0.5061(5) 0.5895(4) 0.119(4) Uani 1 1 d . . . . .
H5A H 1.272105 0.513007 0.595996 0.143 Uiso 1 1 calc R U . . .
C05 C 0.781(2) 0.6179(7) 0.5914(6) 0.213(13) Uani 1 1 d . . . . .
H05A H 0.767394 0.588214 0.611135 0.255 Uiso 1 1 calc R U . . .
H05B H 0.789097 0.649204 0.610902 0.255 Uiso 1 1 calc R U . . .
C6 C 1.1745(6) 0.4650(4) 0.6144(3) 0.098(3) Uani 1 1 d . . . . .
H6A H 1.208585 0.444048 0.635479 0.118 Uiso 1 1 calc R U . . .
C06 C 0.8585(13) 0.6072(7) 0.5653(8) 0.187(7) Uani 1 1 d . . . . .
H06A H 0.899016 0.636720 0.568300 0.224 Uiso 1 1 calc R U . . .
H06B H 0.888517 0.575802 0.577571 0.224 Uiso 1 1 calc R U . . .
C7 C 1.0305(5) 0.3505(3) 0.5973(2) 0.0568(17) Uani 1 1 d . . . . .
C07 C 0.8284(14) 0.6001(7) 0.5191(7) 0.176(7) Uani 1 1 d . . . . .
H07A H 0.827104 0.562674 0.511887 0.211 Uiso 1 1 calc R U . . .
H07B H 0.868524 0.616879 0.498786 0.211 Uiso 1 1 calc R U . . .
C8 C 0.9606(5) 0.3456(3) 0.5635(3) 0.069(2) Uani 1 1 d . . . . .
H8A H 0.913397 0.368698 0.564190 0.083 Uiso 1 1 calc R U . . .
C08 C 0.7429(17) 0.6217(7) 0.5094(8) 0.193(7) Uani 1 1 d . . . . .
H08A H 0.745035 0.655938 0.494251 0.232 Uiso 1 1 calc R U . . .
H08B H 0.705631 0.598252 0.489617 0.232 Uiso 1 1 calc R U . . .
C9 C 0.9592(7) 0.3077(4) 0.5294(3) 0.100(3) Uani 1 1 d . . . . .
H9A H 0.912207 0.305243 0.506667 0.120 Uiso 1 1 calc R U . . .
C10 C 1.0284(9) 0.2734(4) 0.5292(4) 0.109(4) Uani 1 1 d . . . . .
H10A H 1.027363 0.247154 0.506274 0.131 Uiso 1 1 calc R U . . .
C11 C 1.0987(7) 0.2765(4) 0.5617(4) 0.099(3) Uani 1 1 d . . . . .
H11A H 1.144325 0.252335 0.561140 0.119 Uiso 1 1 calc R U . . .
C12 C 1.1017(6) 0.3172(3) 0.5964(3) 0.078(2) Uani 1 1 d . . . . .
H12A H 1.150331 0.321224 0.617902 0.094 Uiso 1 1 calc R U . . .
C13 C 1.0748(4) 0.2835(2) 0.7155(2) 0.0475(14) Uani 1 1 d . . . . .
C14 C 1.1591(5) 0.2640(3) 0.7091(3) 0.0628(18) Uani 1 1 d . . . . .
H14A H 1.208190 0.285244 0.715559 0.075 Uiso 1 1 calc R U . . .
C15 C 1.1681(6) 0.2125(3) 0.6930(3) 0.074(2) Uani 1 1 d . . . . .
H15A H 1.223484 0.199501 0.687895 0.089 Uiso 1 1 calc R U . . .
C16 C 1.0963(7) 0.1809(3) 0.6847(3) 0.093(3) Uani 1 1 d . . . . .
H16A H 1.102853 0.146289 0.674647 0.111 Uiso 1 1 calc R U . . .
C17 C 1.0123(6) 0.2009(3) 0.6914(3) 0.093(3) Uani 1 1 d . . . . .
H17A H 0.963145 0.179465 0.685897 0.111 Uiso 1 1 calc R U . . .
C18 C 1.0031(5) 0.2523(3) 0.7060(3) 0.0669(19) Uani 1 1 d . . . . .
H18A H 0.947414 0.265890 0.709424 0.080 Uiso 1 1 calc R U . . .
C19 C 1.1760(4) 0.4631(2) 0.8188(2) 0.0502(15) Uani 1 1 d . . . . .
C20 C 1.2099(5) 0.4722(3) 0.7759(3) 0.073(2) Uani 1 1 d . . . . .
H20A H 1.211363 0.444821 0.754147 0.088 Uiso 1 1 calc R U . . .
C21 C 1.2415(6) 0.5208(4) 0.7647(4) 0.097(3) Uani 1 1 d . . . . .
H21A H 1.262359 0.526682 0.735213 0.116 Uiso 1 1 calc R U . . .
C22 C 1.2421(6) 0.5606(3) 0.7970(4) 0.096(3) Uani 1 1 d . . . . .
H22A H 1.261090 0.594010 0.788923 0.115 Uiso 1 1 calc R U . . .
C23 C 1.2149(5) 0.5517(3) 0.8415(4) 0.088(3) Uani 1 1 d . . . . .
H23A H 1.219063 0.578514 0.863940 0.105 Uiso 1 1 calc R U . . .
C24 C 1.1819(4) 0.5036(3) 0.8525(3) 0.065(2) Uani 1 1 d . . . . .
H24A H 1.163208 0.497684 0.882496 0.079 Uiso 1 1 calc R U . . .
C25 C 1.1975(4) 0.3780(2) 0.8844(2) 0.0494(15) Uani 1 1 d . . . . .
C26 C 1.1641(5) 0.3497(3) 0.9209(3) 0.070(2) Uani 1 1 d . . . . .
H26A H 1.104697 0.341350 0.919501 0.084 Uiso 1 1 calc R U . . .
C27 C 1.2192(7) 0.3338(4) 0.9594(3) 0.090(3) Uani 1 1 d . . . . .
H27A H 1.197118 0.314274 0.983594 0.108 Uiso 1 1 calc R U . . .
C28 C 1.3070(6) 0.3473(4) 0.9618(3) 0.090(3) Uani 1 1 d . . . . .
H28A H 1.344059 0.336616 0.987548 0.108 Uiso 1 1 calc R U . . .
C29 C 1.3401(6) 0.3763(4) 0.9261(4) 0.095(3) Uani 1 1 d . . . . .
H29A H 1.398987 0.385964 0.927945 0.114 Uiso 1 1 calc R U . . .
C30 C 1.2851(5) 0.3910(3) 0.8877(3) 0.073(2) Uani 1 1 d . . . . .
H30A H 1.307613 0.410044 0.863355 0.088 Uiso 1 1 calc R U . . .
C31 C 1.1040(4) 0.3922(2) 0.6899(2) 0.0478(14) Uani 1 1 d . . . . .
H31A H 1.122256 0.425695 0.703968 0.057 Uiso 1 1 calc R U . . .
H31B H 1.155939 0.375203 0.679412 0.057 Uiso 1 1 calc R U . . .
C32 C 1.1466(4) 0.3548(2) 0.7857(2) 0.0443(14) Uani 1 1 d . . . . .
H32A H 1.154810 0.319703 0.799085 0.053 Uiso 1 1 calc R U . . .
H32B H 1.201308 0.364925 0.773094 0.053 Uiso 1 1 calc R U . . .
C33 C 0.6772(4) 0.4572(3) 0.6327(2) 0.0567(17) Uani 1 1 d . . . . .
C34 C 0.7022(7) 0.4751(4) 0.5900(3) 0.101(3) Uani 1 1 d . . . . .
H34A H 0.760143 0.484723 0.586875 0.121 Uiso 1 1 calc R U . . .
C35 C 0.6407(9) 0.4786(6) 0.5516(4) 0.154(6) Uani 1 1 d . . . . .
H35A H 0.658245 0.489264 0.522380 0.185 Uiso 1 1 calc R U . . .
C36 C 0.5555(8) 0.4668(6) 0.5560(4) 0.147(6) Uani 1 1 d . . . . .
H36A H 0.514168 0.472269 0.530678 0.177 Uiso 1 1 calc R U . . .
C37 C 0.5300(6) 0.4471(5) 0.5968(4) 0.112(4) Uani 1 1 d . . . . .
H37A H 0.472269 0.436387 0.599014 0.135 Uiso 1 1 calc R U . . .
C38 C 0.5906(5) 0.4429(4) 0.6353(3) 0.083(3) Uani 1 1 d . . . . .
H38A H 0.572492 0.430161 0.663747 0.099 Uiso 1 1 calc R U . . .
C39 C 0.7445(4) 0.5169(2) 0.7138(2) 0.0494(15) Uani 1 1 d . . . . .
C40 C 0.6733(5) 0.5502(3) 0.7038(3) 0.075(2) Uani 1 1 d . . . . .
H40A H 0.632724 0.542598 0.678575 0.090 Uiso 1 1 calc R U . . .
C41 C 0.6627(6) 0.5943(3) 0.7310(3) 0.091(3) Uani 1 1 d . . . . .
H41A H 0.615015 0.616435 0.723783 0.110 Uiso 1 1 calc R U . . .
C42 C 0.7208(5) 0.6061(3) 0.7683(3) 0.080(2) Uani 1 1 d . . . . .
H42A H 0.711980 0.635726 0.786675 0.096 Uiso 1 1 calc R U . . .
C43 C 0.7929(5) 0.5739(3) 0.7790(3) 0.072(2) Uani 1 1 d . . . . .
H43A H 0.832787 0.581596 0.804520 0.086 Uiso 1 1 calc R U . . .
C44 C 0.8041(4) 0.5303(3) 0.7510(3) 0.0598(17) Uani 1 1 d . . . . .
H44A H 0.853311 0.509147 0.757412 0.072 Uiso 1 1 calc R U . . .
C45 C 0.7306(4) 0.3152(3) 0.7788(2) 0.0515(15) Uani 1 1 d . . . . .
C46 C 0.6401(5) 0.3102(3) 0.7742(3) 0.076(2) Uani 1 1 d . . . . .
H46A H 0.605718 0.339939 0.767499 0.091 Uiso 1 1 calc R U . . .
C47 C 0.5999(7) 0.2622(4) 0.7793(4) 0.099(3) Uani 1 1 d . . . . .
H47A H 0.539211 0.259279 0.774826 0.118 Uiso 1 1 calc R U . . .
C48 C 0.6499(8) 0.2190(4) 0.7909(3) 0.102(3) Uani 1 1 d . . . . .
H48A H 0.623158 0.186333 0.794030 0.123 Uiso 1 1 calc R U . . .
C49 C 0.7375(8) 0.2231(3) 0.7979(3) 0.095(3) Uani 1 1 d . . . . .
H49A H 0.770605 0.193793 0.807652 0.114 Uiso 1 1 calc R U . . .
C50 C 0.7794(6) 0.2715(3) 0.7906(3) 0.073(2) Uani 1 1 d . . . . .
H50A H 0.840346 0.273614 0.793724 0.087 Uiso 1 1 calc R U . . .
C51 C 0.7816(4) 0.3457(2) 0.8972(2) 0.0508(15) Uani 1 1 d . . . . .
C52 C 0.8245(6) 0.3006(3) 0.9117(3) 0.072(2) Uani 1 1 d . . . . .
H52A H 0.884501 0.297850 0.908756 0.086 Uiso 1 1 calc R U . . .
C53 C 0.7799(8) 0.2585(3) 0.9309(3) 0.094(3) Uani 1 1 d . . . . .
H53A H 0.809863 0.228098 0.940903 0.113 Uiso 1 1 calc R U . . .
C54 C 0.6911(8) 0.2628(4) 0.9347(3) 0.095(3) Uani 1 1 d . . . . .
H54A H 0.660011 0.234794 0.946513 0.115 Uiso 1 1 calc R U . . .
C55 C 0.6488(6) 0.3085(4) 0.9211(3) 0.095(3) Uani 1 1 d . . . . .
H55A H 0.588849 0.311142 0.924298 0.115 Uiso 1 1 calc R U . . .
C56 C 0.6911(6) 0.3501(4) 0.9029(3) 0.087(3) Uani 1 1 d . . . . .
H56A H 0.660913 0.380945 0.894423 0.104 Uiso 1 1 calc R U . . .
C57 C 0.8226(4) 0.4525(2) 0.9170(2) 0.0514(16) Uani 1 1 d . . . . .
C58 C 0.7572(6) 0.4907(3) 0.9124(3) 0.081(2) Uani 1 1 d . . . . .
H58A H 0.764807 0.510407 0.883750 0.097 Uiso 1 1 calc R U . . .
H58B H 0.701208 0.472662 0.908011 0.097 Uiso 1 1 calc R U . . .
C59 C 0.7521(8) 0.5266(3) 0.9490(4) 0.103(3) Uani 1 1 d . . . . .
H59A H 0.708894 0.552464 0.946333 0.124 Uiso 1 1 calc R U . . .
C60 C 0.8072(8) 0.5253(4) 0.9878(4) 0.103(3) Uani 1 1 d . . . . .
H60A H 0.801732 0.550222 1.011400 0.123 Uiso 1 1 calc R U . . .
C61 C 0.8706(7) 0.4884(4) 0.9932(3) 0.095(3) Uani 1 1 d . . . . .
H61A H 0.908294 0.487491 1.020575 0.114 Uiso 1 1 calc R U . . .
C62 C 0.8790(6) 0.4520(3) 0.9579(3) 0.072(2) Uani 1 1 d . . . . .
H62A H 0.923095 0.426652 0.961351 0.087 Uiso 1 1 calc R U . . .
C63 C 0.7113(4) 0.4061(2) 0.7217(2) 0.0495(15) Uani 1 1 d . . . . .
H63A H 0.687572 0.377328 0.702122 0.059 Uiso 1 1 calc R U . . .
H63B H 0.662453 0.422496 0.736028 0.059 Uiso 1 1 calc R U . . .
C64 C 0.7664(4) 0.4196(2) 0.8208(2) 0.0489(15) Uani 1 1 d . . . . .
H64A H 0.776640 0.456221 0.813066 0.059 Uiso 1 1 calc R U . . .
H64B H 0.705669 0.416211 0.828083 0.059 Uiso 1 1 calc R U . . .
C65 C 0.9467(4) 0.5016(3) 0.6706(2) 0.0528(16) Uani 1 1 d . . . . .
C66 C 0.9850(4) 0.5435(3) 0.6752(2) 0.0534(16) Uani 1 1 d . . . . .
C67 C 1.0263(4) 0.5926(2) 0.6897(2) 0.0542(16) Uani 1 1 d . . . . .
C68 C 1.0570(5) 0.6309(3) 0.6601(2) 0.0584(17) Uani 1 1 d . . . . .
H68A H 1.053701 0.624731 0.627662 0.070 Uiso 1 1 calc R U . . .
C69 C 1.0929(4) 0.6790(2) 0.6776(2) 0.0555(16) Uani 1 1 d . . . . .
C70 C 1.0973(4) 0.6889(2) 0.7256(2) 0.0487(15) Uani 1 1 d . . . . .
H70A H 1.121406 0.720323 0.737627 0.058 Uiso 1 1 calc R U . . .
C71 C 1.0650(4) 0.6512(2) 0.7562(2) 0.0474(14) Uani 1 1 d . . . . .
C72 C 1.0337(4) 0.6035(2) 0.7373(2) 0.0481(15) Uani 1 1 d . . . . .
C73 C 1.0567(4) 0.6481(2) 0.8069(2) 0.0447(14) Uani 1 1 d . . . . .
C74 C 1.0236(4) 0.5975(2) 0.8155(2) 0.0471(14) Uani 1 1 d . . . . .
C75 C 1.0089(4) 0.5786(2) 0.8600(2) 0.0497(15) Uani 1 1 d . . . . .
C76 C 1.0300(5) 0.6128(3) 0.8980(2) 0.0565(17) Uani 1 1 d . . . . .
H76A H 1.021713 0.601469 0.928540 0.068 Uiso 1 1 calc R U . . .
C77 C 1.0633(5) 0.6638(3) 0.8913(2) 0.0576(17) Uani 1 1 d . . . . .
C78 C 1.0773(4) 0.6808(2) 0.8465(2) 0.0516(15) Uani 1 1 d . . . . .
H78A H 1.100717 0.714174 0.842262 0.062 Uiso 1 1 calc R U . . .
C79 C 0.9845(4) 0.5237(2) 0.8636(2) 0.0503(15) Uani 1 1 d . . . . .
C80 C 0.9783(4) 0.4763(3) 0.8576(2) 0.0458(14) Uani 1 1 d . . . . .
C81 C 0.8464(4) 0.3562(3) 0.6548(2) 0.0527(16) Uani 1 1 d . . . . .
C82 C 0.8146(4) 0.3128(2) 0.6498(2) 0.0525(16) Uani 1 1 d . . . . .
C83 C 0.7798(4) 0.2613(3) 0.6397(2) 0.0541(16) Uani 1 1 d . . . . .
C84 C 0.8236(5) 0.2267(3) 0.6124(3) 0.072(2) Uani 1 1 d . . . . .
H84A H 0.877703 0.235949 0.601951 0.086 Uiso 1 1 calc R U . . .
C85 C 0.7863(6) 0.1775(3) 0.6003(3) 0.084(3) Uani 1 1 d . . . . .
H85A H 0.815587 0.154389 0.581431 0.100 Uiso 1 1 calc R U . . .
C86 C 0.7073(6) 0.1631(3) 0.6159(3) 0.081(2) Uani 1 1 d . . . . .
H86A H 0.682781 0.130425 0.607717 0.098 Uiso 1 1 calc R U . . .
C87 C 0.6650(6) 0.1968(3) 0.6434(3) 0.080(2) Uani 1 1 d . . . . .
H87A H 0.611678 0.186844 0.654366 0.096 Uiso 1 1 calc R U . . .
C88 C 0.7001(5) 0.2458(3) 0.6554(3) 0.073(2) Uani 1 1 d . . . . .
H88A H 0.669881 0.268479 0.674101 0.088 Uiso 1 1 calc R U . . .
C89 C 0.9894(4) 0.3186(3) 0.8455(2) 0.0543(16) Uani 1 1 d . . . . .
C90 C 1.0018(4) 0.2710(2) 0.8434(3) 0.0567(17) Uani 1 1 d . . . . .
C91 C 1.0126(5) 0.2141(3) 0.8439(3) 0.0586(17) Uani 1 1 d . . . . .
C92 C 1.0715(5) 0.1902(3) 0.8168(3) 0.073(2) Uani 1 1 d . . . . .
H92A H 1.103587 0.210379 0.796888 0.087 Uiso 1 1 calc R U . . .
C93 C 1.0837(6) 0.1357(3) 0.8191(4) 0.091(3) Uani 1 1 d . . . . .
H93A H 1.124663 0.119678 0.801122 0.109 Uiso 1 1 calc R U . . .
C94 C 1.0359(7) 0.1062(3) 0.8475(4) 0.090(3) Uani 1 1 d . . . . .
H94A H 1.044561 0.069874 0.849060 0.108 Uiso 1 1 calc R U . . .
C95 C 0.9760(7) 0.1287(3) 0.8733(4) 0.097(3) Uani 1 1 d . . . . .
H95A H 0.942717 0.107718 0.892032 0.117 Uiso 1 1 calc R U . . .
C96 C 0.9636(6) 0.1827(3) 0.8723(3) 0.082(2) Uani 1 1 d . . . . .
H96A H 0.922448 0.198031 0.890530 0.099 Uiso 1 1 calc R U . . .
C97 C 1.1261(5) 0.7195(3) 0.6435(3) 0.069(2) Uani 1 1 d . . . . .
C98 C 1.1928(11) 0.6898(5) 0.6113(5) 0.194(8) Uani 1 1 d . . . . .
H98A H 1.242271 0.677049 0.630880 0.290 Uiso 1 1 calc R U . . .
H98B H 1.163339 0.660586 0.595388 0.290 Uiso 1 1 calc R U . . .
H98C H 1.212488 0.713967 0.588296 0.290 Uiso 1 1 calc R U . . .
C99 C 1.1852(10) 0.7577(5) 0.6655(4) 0.187(8) Uani 1 1 d . . . . .
H99A H 1.227177 0.740191 0.687065 0.281 Uiso 1 1 calc R U . . .
H99B H 1.215379 0.775583 0.641701 0.281 Uiso 1 1 calc R U . . .
H99C H 1.152744 0.782854 0.682451 0.281 Uiso 1 1 calc R U . . .
C100 C 1.0583(8) 0.7356(6) 0.6103(5) 0.185(8) Uani 1 1 d . . . . .
H10B H 1.025119 0.705285 0.599098 0.277 Uiso 1 1 calc R U . . .
H10C H 1.020446 0.759823 0.624878 0.277 Uiso 1 1 calc R U . . .
H10D H 1.083081 0.752551 0.584128 0.277 Uiso 1 1 calc R U . . .
C101 C 1.0895(6) 0.6978(3) 0.9350(3) 0.082(2) Uani 1 1 d . . . . .
C102 C 1.0865(15) 0.7561(4) 0.9227(4) 0.251(12) Uani 1 1 d . . . . .
H10E H 1.124361 0.762864 0.897946 0.376 Uiso 1 1 calc R U . . .
H10F H 1.027524 0.765882 0.912356 0.376 Uiso 1 1 calc R U . . .
H10G H 1.105826 0.776352 0.950176 0.376 Uiso 1 1 calc R U . . .
C103 C 1.1787(7) 0.6757(7) 0.9559(4) 0.177(7) Uani 1 1 d . . . . .
H10H H 1.172863 0.638703 0.962234 0.265 Uiso 1 1 calc R U . . .
H10I H 1.222201 0.680770 0.933630 0.265 Uiso 1 1 calc R U . . .
H10J H 1.196340 0.693908 0.984735 0.265 Uiso 1 1 calc R U . . .
C104 C 1.0281(6) 0.6915(4) 0.9741(3) 0.093(3) Uani 1 1 d . . . . .
H10K H 1.026918 0.655121 0.983612 0.140 Uiso 1 1 calc R U . . .
H10L H 1.048378 0.712857 1.000675 0.140 Uiso 1 1 calc R U . . .
H10M H 0.970076 0.702386 0.962855 0.140 Uiso 1 1 calc R U . . .
Cl1 Cl 1.37558(17) 0.36262(12) 0.69824(12) 0.1093(9) Uani 0.548(16) 1 d D U P A
1
O1 O 1.4631(7) 0.3495(9) 0.6954(8) 0.183(9) Uani 0.548(16) 1 d D U P A 1
O2 O 1.3453(11) 0.3523(7) 0.7440(4) 0.146(7) Uani 0.548(16) 1 d D U P A 1
O3 O 1.3174(11) 0.3373(9) 0.6626(5) 0.191(11) Uani 0.548(16) 1 d D U P A 1
O4 O 1.3615(13) 0.4189(4) 0.6915(7) 0.173(9) Uani 0.548(16) 1 d D U P A 1
Cl1A Cl 1.37558(17) 0.36262(12) 0.69824(12) 0.1093(9) Uani 0.452(16) 1 d D U P
A 2
O1A O 1.4593(8) 0.3859(8) 0.7082(8) 0.169(10) Uani 0.452(16) 1 d D U P A 2
O2A O 1.3169(12) 0.3834(9) 0.7301(8) 0.174(10) Uani 0.452(16) 1 d D U P A 2
O3A O 1.3423(19) 0.3710(11) 0.6505(5) 0.237(14) Uani 0.452(16) 1 d D U P A 2
O4A O 1.3833(15) 0.3063(4) 0.7073(9) 0.181(11) Uani 0.452(16) 1 d D U P A 2
O03 O 0.5683(8) 0.4572(7) 0.8349(7) 0.308(6) Uani 1 1 d . U . . .
C09 C 0.4953(11) 0.4391(9) 0.8389(10) 0.299(6) Uani 1 1 d . U . . .
H09A H 0.485963 0.434697 0.872131 0.359 Uiso 1 1 calc R U . . .
H09B H 0.490151 0.404790 0.823817 0.359 Uiso 1 1 calc R U . . .
C012 C 0.5616(11) 0.5106(9) 0.8182(9) 0.309(6) Uani 1 1 d D U . . .
H01C H 0.564646 0.535547 0.844160 0.371 Uiso 1 1 calc R U . . .
H01D H 0.607246 0.518732 0.797340 0.371 Uiso 1 1 calc R U . . .
C011 C 0.4853(11) 0.5106(9) 0.7957(9) 0.307(6) Uani 1 1 d D U . . .
H01E H 0.489100 0.501702 0.762658 0.369 Uiso 1 1 calc R U . . .
H01F H 0.457108 0.544706 0.797821 0.369 Uiso 1 1 calc R U . . .
C010 C 0.4382(12) 0.4701(10) 0.8199(10) 0.311(6) Uani 1 1 d . U . . .
H01G H 0.404282 0.485877 0.843750 0.373 Uiso 1 1 calc R U . . .
H01H H 0.398566 0.451095 0.797594 0.373 Uiso 1 1 calc R U . . .
O04 O 1.483(3) 0.5917(19) -0.0169(17) 0.481(18) Uani 0.57(2) 1 d D U P B 1
C013 C 1.525(2) 0.557(2) -0.048(2) 0.482(18) Uani 0.57(2) 1 d D U P B 1
H01I H 1.572111 0.537734 -0.030938 0.578 Uiso 0.57(2) 1 calc R U P B 1
H01J H 1.547898 0.576382 -0.073603 0.578 Uiso 0.57(2) 1 calc R U P B 1
C014 C 1.453(3) 0.520(2) -0.066(2) 0.482(18) Uani 0.57(2) 1 d D U P B 1
H01K H 1.470600 0.483758 -0.060707 0.579 Uiso 0.57(2) 1 calc R U P B 1
H01L H 1.439247 0.525376 -0.099659 0.579 Uiso 0.57(2) 1 calc R U P B 1
C015 C 1.374(3) 0.533(2) -0.039(2) 0.482(18) Uani 0.57(2) 1 d D U P B 1
H01M H 1.318928 0.526249 -0.057910 0.578 Uiso 0.57(2) 1 calc R U P B 1
H01N H 1.374176 0.513699 -0.009517 0.578 Uiso 0.57(2) 1 calc R U P B 1
C016 C 1.392(3) 0.591(2) -0.032(2) 0.481(18) Uani 0.57(2) 1 d D U P B 1
H01O H 1.379916 0.610271 -0.061319 0.577 Uiso 0.57(2) 1 calc R U P B 1
H01P H 1.356691 0.605429 -0.008153 0.577 Uiso 0.57(2) 1 calc R U P B 1
O04' O 1.4736(19) 0.6161(12) -0.0564(9) 0.205(11) Uani 0.43(2) 1 d D U P B 2
C13' C 1.469(3) 0.6115(14) -0.0069(8) 0.205(11) Uani 0.43(2) 1 d D U P B 2
H13A H 1.436066 0.640804 0.005172 0.246 Uiso 0.43(2) 1 calc R U P B 2
H13B H 1.526700 0.610709 0.009380 0.246 Uiso 0.43(2) 1 calc R U P B 2
C14' C 1.421(3) 0.5603(14) -0.0004(11) 0.205(11) Uani 0.43(2) 1 d D U P B 2
H14B H 1.456054 0.529814 -0.008000 0.245 Uiso 0.43(2) 1 calc R U P B 2
H14C H 1.401138 0.556603 0.030975 0.245 Uiso 0.43(2) 1 calc R U P B 2
C16' C 1.400(3) 0.5884(18) -0.0777(8) 0.205(11) Uani 0.43(2) 1 d D U P B 2
H16B H 1.418806 0.558014 -0.095056 0.246 Uiso 0.43(2) 1 calc R U P B 2
H16C H 1.365196 0.611218 -0.099202 0.246 Uiso 0.43(2) 1 calc R U P B 2
C15' C 1.348(2) 0.5715(16) -0.0373(12) 0.205(11) Uani 0.43(2) 1 d D U P B 2
H15B H 1.310285 0.599447 -0.027595 0.246 Uiso 0.43(2) 1 calc R U P B 2
H15C H 1.313648 0.540177 -0.045134 0.246 Uiso 0.43(2) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C65 1.987(6) . ?
Pt1 C81 2.015(6) . ?
Pt1 P4 2.3063(16) . ?
Pt1 P1 2.3120(16) . ?
Pt1 Cu1 2.9364(9) . ?
Pt2 C80 1.996(7) . ?
Pt2 C89 2.021(7) . ?
Pt2 P6 2.3137(16) . ?
Pt2 P3 2.3168(16) . ?
Pt2 Cu1 2.9910(10) . ?
Cu1 P5 2.2292(18) . ?
Cu1 P2 2.2293(17) . ?
P1 C7 1.813(7) . ?
P1 C1 1.823(6) . ?
P1 C31 1.825(6) . ?
P2 C13 1.823(6) . ?
P2 C31 1.837(6) . ?
P2 C32 1.854(6) . ?
P3 C19 1.828(6) . ?
P3 C25 1.828(6) . ?
P3 C32 1.836(6) . ?
P4 C33 1.811(7) . ?
P4 C39 1.819(6) . ?
P4 C63 1.822(6) . ?
P5 C63 1.824(6) . ?
P5 C45 1.827(6) . ?
P5 C64 1.849(6) . ?
P6 C51 1.818(6) . ?
P6 C64 1.822(6) . ?
P6 C57 1.822(6) . ?
O01 C01 1.334(14) . ?
O01 C04 1.441(16) . ?
O02 C08 1.397(19) . ?
O02 C05 1.41(2) . ?
N1 C74 1.369(8) . ?
N1 C72 1.385(7) . ?
C1 C6 1.359(10) . ?
C1 C2 1.371(10) . ?
C01 C02 1.325(18) . ?
C2 C3 1.378(10) . ?
C02 C03 1.410(18) . ?
C3 C4 1.359(14) . ?
C03 C04 1.304(18) . ?
C4 C5 1.338(14) . ?
C5 C6 1.409(12) . ?
C05 C06 1.47(2) . ?
C06 C07 1.37(2) . ?
C7 C12 1.378(10) . ?
C7 C8 1.386(10) . ?
C07 C08 1.43(2) . ?
C8 C9 1.362(11) . ?
C9 C10 1.370(14) . ?
C10 C11 1.363(14) . ?
C11 C12 1.425(11) . ?
C13 C18 1.360(9) . ?
C13 C14 1.404(9) . ?
C14 C15 1.394(9) . ?
C15 C16 1.364(12) . ?
C16 C17 1.406(12) . ?
C17 C18 1.379(10) . ?
C19 C20 1.379(10) . ?
C19 C24 1.400(9) . ?
C20 C21 1.370(10) . ?
C21 C22 1.360(13) . ?
C22 C23 1.377(13) . ?
C23 C24 1.366(10) . ?
C25 C30 1.374(10) . ?
C25 C26 1.389(9) . ?
C26 C27 1.388(10) . ?
C27 C28 1.382(13) . ?
C28 C29 1.380(13) . ?
C29 C30 1.375(11) . ?
C33 C34 1.376(10) . ?
C33 C38 1.381(10) . ?
C34 C35 1.387(13) . ?
C35 C36 1.352(15) . ?
C36 C37 1.345(14) . ?
C37 C38 1.382(11) . ?
C39 C44 1.383(9) . ?
C39 C40 1.389(9) . ?
C40 C41 1.375(10) . ?
C41 C42 1.362(11) . ?
C42 C43 1.385(10) . ?
C43 C44 1.381(9) . ?
C45 C50 1.365(10) . ?
C45 C46 1.385(10) . ?
C46 C47 1.375(11) . ?
C47 C48 1.361(14) . ?
C48 C49 1.342(13) . ?
C49 C50 1.406(11) . ?
C51 C52 1.364(10) . ?
C51 C56 1.409(10) . ?
C52 C53 1.399(10) . ?
C53 C54 1.374(13) . ?
C54 C55 1.368(14) . ?
C55 C56 1.359(11) . ?
C57 C58 1.390(10) . ?
C57 C62 1.392(10) . ?
C58 C59 1.386(11) . ?
C59 C60 1.334(14) . ?
C60 C61 1.348(13) . ?
C61 C62 1.376(10) . ?
C65 C66 1.213(8) . ?
C66 C67 1.440(8) . ?
C67 C72 1.375(9) . ?
C67 C68 1.390(8) . ?
C68 C69 1.411(9) . ?
C69 C70 1.383(9) . ?
C69 C97 1.522(9) . ?
C70 C71 1.406(8) . ?
C71 C72 1.393(8) . ?
C71 C73 1.456(9) . ?
C73 C74 1.408(8) . ?
C73 C78 1.411(8) . ?
C74 C75 1.384(8) . ?
C75 C76 1.402(9) . ?
C75 C79 1.445(8) . ?
C76 C77 1.407(9) . ?
C77 C78 1.373(9) . ?
C77 C101 1.538(10) . ?
C79 C80 1.215(9) . ?
C81 C82 1.206(8) . ?
C82 C83 1.430(8) . ?
C83 C84 1.379(10) . ?
C83 C88 1.385(10) . ?
C84 C85 1.403(10) . ?
C85 C86 1.368(11) . ?
C86 C87 1.352(11) . ?
C87 C88 1.385(10) . ?
C89 C90 1.223(9) . ?
C90 C91 1.451(9) . ?
C91 C92 1.369(10) . ?
C91 C96 1.391(10) . ?
C92 C93 1.393(10) . ?
C93 C94 1.355(12) . ?
C94 C95 1.342(13) . ?
C95 C96 1.382(11) . ?
C97 C100 1.408(12) . ?
C97 C99 1.434(12) . ?
C97 C98 1.607(15) . ?
C101 C102 1.515(14) . ?
C101 C104 1.517(11) . ?
C101 C103 1.550(15) . ?
Cl1 O1 1.387(8) . ?
Cl1 O2 1.436(8) . ?
Cl1 O3 1.444(8) . ?
Cl1 O4 1.452(8) . ?
Cl1A O1A 1.418(9) . ?
Cl1A O2A 1.422(8) . ?
Cl1A O3A 1.427(9) . ?
Cl1A O4A 1.452(8) . ?
O03 C09 1.221(18) . ?
O03 C012 1.43(2) . ?
C09 C010 1.26(2) . ?
C012 C011 1.285(10) . ?
C011 C010 1.46(2) . ?
O04 C013 1.426(10) . ?
O04 C016 1.431(10) . ?
C013 C014 1.502(10) . ?
C014 C015 1.511(10) . ?
C015 C016 1.508(10) . ?
O04' C16' 1.419(10) . ?
O04' C13' 1.419(10) . ?
C13' C14' 1.501(10) . ?
C14' C15' 1.499(10) . ?
C16' C15' 1.504(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C65 Pt1 C81 177.4(3) . . ?
C65 Pt1 P4 95.11(19) . . ?
C81 Pt1 P4 86.96(19) . . ?
C65 Pt1 P1 85.33(19) . . ?
C81 Pt1 P1 92.66(19) . . ?
P4 Pt1 P1 177.54(6) . . ?
C65 Pt1 Cu1 109.15(19) . . ?
C81 Pt1 Cu1 69.29(19) . . ?
P4 Pt1 Cu1 89.94(4) . . ?
P1 Pt1 Cu1 92.19(4) . . ?
C80 Pt2 C89 176.9(2) . . ?
C80 Pt2 P6 85.17(16) . . ?
C89 Pt2 P6 97.74(18) . . ?
C80 Pt2 P3 90.67(16) . . ?
C89 Pt2 P3 86.37(18) . . ?
P6 Pt2 P3 175.15(6) . . ?
C80 Pt2 Cu1 107.74(17) . . ?
C89 Pt2 Cu1 73.22(19) . . ?
P6 Pt2 Cu1 92.88(4) . . ?
P3 Pt2 Cu1 90.76(4) . . ?
P5 Cu1 P2 171.25(7) . . ?
P5 Cu1 Pt1 93.88(5) . . ?
P2 Cu1 Pt1 92.10(5) . . ?
P5 Cu1 Pt2 88.64(5) . . ?
P2 Cu1 Pt2 91.56(5) . . ?
Pt1 Cu1 Pt2 135.65(3) . . ?
C7 P1 C1 102.2(3) . . ?
C7 P1 C31 109.4(3) . . ?
C1 P1 C31 103.3(3) . . ?
C7 P1 Pt1 116.6(2) . . ?
C1 P1 Pt1 115.3(2) . . ?
C31 P1 Pt1 109.0(2) . . ?
C13 P2 C31 104.4(3) . . ?
C13 P2 C32 101.5(3) . . ?
C31 P2 C32 103.9(3) . . ?
C13 P2 Cu1 114.2(2) . . ?
C31 P2 Cu1 113.6(2) . . ?
C32 P2 Cu1 117.55(19) . . ?
C19 P3 C25 102.4(3) . . ?
C19 P3 C32 105.9(3) . . ?
C25 P3 C32 105.0(3) . . ?
C19 P3 Pt2 120.1(2) . . ?
C25 P3 Pt2 110.5(2) . . ?
C32 P3 Pt2 111.5(2) . . ?
C33 P4 C39 104.8(3) . . ?
C33 P4 C63 103.2(3) . . ?
C39 P4 C63 103.7(3) . . ?
C33 P4 Pt1 112.3(2) . . ?
C39 P4 Pt1 119.3(2) . . ?
C63 P4 Pt1 111.9(2) . . ?
C63 P5 C45 101.0(3) . . ?
C63 P5 C64 104.0(3) . . ?
C45 P5 C64 105.9(3) . . ?
C63 P5 Cu1 114.2(2) . . ?
C45 P5 Cu1 114.6(2) . . ?
C64 P5 Cu1 115.6(2) . . ?
C51 P6 C64 103.6(3) . . ?
C51 P6 C57 101.8(3) . . ?
C64 P6 C57 106.4(3) . . ?
C51 P6 Pt2 123.3(2) . . ?
C64 P6 Pt2 108.2(2) . . ?
C57 P6 Pt2 112.3(2) . . ?
C01 O01 C04 103.9(12) . . ?
C08 O02 C05 114.1(17) . . ?
C74 N1 C72 109.0(5) . . ?
C6 C1 C2 118.0(7) . . ?
C6 C1 P1 122.6(6) . . ?
C2 C1 P1 119.3(6) . . ?
C02 C01 O01 110.4(14) . . ?
C1 C2 C3 122.0(8) . . ?
C01 C02 C03 109.2(15) . . ?
C4 C3 C2 120.4(9) . . ?
C04 C03 C02 104.8(16) . . ?
C5 C4 C3 117.7(9) . . ?
C03 C04 O01 111.0(15) . . ?
C4 C5 C6 123.1(10) . . ?
O02 C05 C06 102.8(15) . . ?
C1 C6 C5 118.6(9) . . ?
C07 C06 C05 106.3(19) . . ?
C12 C7 C8 120.1(7) . . ?
C12 C7 P1 122.0(6) . . ?
C8 C7 P1 117.6(6) . . ?
C06 C07 C08 111.7(17) . . ?
C9 C8 C7 121.6(9) . . ?
O02 C08 C07 101.4(17) . . ?
C8 C9 C10 118.7(10) . . ?
C11 C10 C9 122.0(9) . . ?
C10 C11 C12 119.5(9) . . ?
C7 C12 C11 118.1(8) . . ?
C18 C13 C14 120.3(6) . . ?
C18 C13 P2 119.6(5) . . ?
C14 C13 P2 120.0(5) . . ?
C15 C14 C13 119.0(7) . . ?
C16 C15 C14 120.5(8) . . ?
C15 C16 C17 119.8(7) . . ?
C18 C17 C16 119.7(8) . . ?
C13 C18 C17 120.6(8) . . ?
C20 C19 C24 118.1(6) . . ?
C20 C19 P3 123.0(5) . . ?
C24 C19 P3 118.9(5) . . ?
C21 C20 C19 121.2(8) . . ?
C22 C21 C20 119.6(9) . . ?
C21 C22 C23 120.7(8) . . ?
C24 C23 C22 119.9(8) . . ?
C23 C24 C19 120.2(8) . . ?
C30 C25 C26 119.0(7) . . ?
C30 C25 P3 120.1(5) . . ?
C26 C25 P3 120.8(5) . . ?
C27 C26 C25 120.1(8) . . ?
C28 C27 C26 119.7(9) . . ?
C29 C28 C27 120.4(8) . . ?
C30 C29 C28 119.3(9) . . ?
C25 C30 C29 121.5(9) . . ?
P1 C31 P2 116.5(3) . . ?
P3 C32 P2 116.5(3) . . ?
C34 C33 C38 117.7(7) . . ?
C34 C33 P4 119.4(6) . . ?
C38 C33 P4 122.8(5) . . ?
C33 C34 C35 119.8(10) . . ?
C36 C35 C34 120.8(10) . . ?
C37 C36 C35 120.5(10) . . ?
C36 C37 C38 119.3(10) . . ?
C33 C38 C37 121.7(8) . . ?
C44 C39 C40 117.9(6) . . ?
C44 C39 P4 119.3(5) . . ?
C40 C39 P4 122.6(5) . . ?
C41 C40 C39 120.2(7) . . ?
C42 C41 C40 121.1(8) . . ?
C41 C42 C43 120.2(8) . . ?
C44 C43 C42 118.4(8) . . ?
C43 C44 C39 122.2(7) . . ?
C50 C45 C46 118.2(7) . . ?
C50 C45 P5 120.0(6) . . ?
C46 C45 P5 121.8(5) . . ?
C47 C46 C45 121.5(8) . . ?
C48 C47 C46 119.3(9) . . ?
C49 C48 C47 120.5(9) . . ?
C48 C49 C50 120.5(9) . . ?
C45 C50 C49 119.8(8) . . ?
C52 C51 C56 119.0(7) . . ?
C52 C51 P6 122.5(6) . . ?
C56 C51 P6 118.4(5) . . ?
C51 C52 C53 121.2(8) . . ?
C54 C53 C52 119.0(9) . . ?
C55 C54 C53 119.5(8) . . ?
C56 C55 C54 122.4(9) . . ?
C55 C56 C51 118.8(9) . . ?
C58 C57 C62 118.6(7) . . ?
C58 C57 P6 123.8(6) . . ?
C62 C57 P6 117.7(5) . . ?
C59 C58 C57 118.0(9) . . ?
C60 C59 C58 122.2(9) . . ?
C59 C60 C61 121.0(9) . . ?
C60 C61 C62 119.2(10) . . ?
C61 C62 C57 121.0(8) . . ?
P4 C63 P5 117.3(3) . . ?
P6 C64 P5 112.8(3) . . ?
C66 C65 Pt1 174.9(6) . . ?
C65 C66 C67 169.3(7) . . ?
C72 C67 C68 116.6(6) . . ?
C72 C67 C66 117.1(6) . . ?
C68 C67 C66 126.4(6) . . ?
C67 C68 C69 122.1(6) . . ?
C70 C69 C68 119.5(6) . . ?
C70 C69 C97 120.7(6) . . ?
C68 C69 C97 119.8(6) . . ?
C69 C70 C71 119.5(6) . . ?
C72 C71 C70 118.6(6) . . ?
C72 C71 C73 106.3(5) . . ?
C70 C71 C73 135.1(6) . . ?
C67 C72 N1 127.1(5) . . ?
C67 C72 C71 123.6(6) . . ?
N1 C72 C71 109.2(6) . . ?
C74 C73 C78 117.3(6) . . ?
C74 C73 C71 106.2(5) . . ?
C78 C73 C71 136.4(5) . . ?
N1 C74 C75 126.9(5) . . ?
N1 C74 C73 109.1(5) . . ?
C75 C74 C73 124.0(6) . . ?
C74 C75 C76 116.3(6) . . ?
C74 C75 C79 117.3(6) . . ?
C76 C75 C79 125.9(6) . . ?
C75 C76 C77 121.8(6) . . ?
C78 C77 C76 119.8(6) . . ?
C78 C77 C101 121.3(6) . . ?
C76 C77 C101 118.7(6) . . ?
C77 C78 C73 120.7(6) . . ?
C80 C79 C75 163.4(7) . . ?
C79 C80 Pt2 174.1(6) . . ?
C82 C81 Pt1 177.5(6) . . ?
C81 C82 C83 174.8(7) . . ?
C84 C83 C88 118.4(6) . . ?
C84 C83 C82 120.3(6) . . ?
C88 C83 C82 121.3(7) . . ?
C83 C84 C85 119.9(7) . . ?
C86 C85 C84 120.7(8) . . ?
C87 C86 C85 119.4(7) . . ?
C86 C87 C88 121.0(8) . . ?
C83 C88 C87 120.7(8) . . ?
C90 C89 Pt2 174.8(6) . . ?
C89 C90 C91 175.6(8) . . ?
C92 C91 C96 118.6(7) . . ?
C92 C91 C90 120.8(7) . . ?
C96 C91 C90 120.6(7) . . ?
C91 C92 C93 120.3(8) . . ?
C94 C93 C92 119.9(9) . . ?
C95 C94 C93 120.8(8) . . ?
C94 C95 C96 120.5(9) . . ?
C95 C96 C91 119.9(9) . . ?
C100 C97 C99 120.2(10) . . ?
C100 C97 C69 110.8(7) . . ?
C99 C97 C69 114.1(7) . . ?
C100 C97 C98 102.7(10) . . ?
C99 C97 C98 99.1(10) . . ?
C69 C97 C98 107.6(7) . . ?
C102 C101 C104 105.2(9) . . ?
C102 C101 C77 111.1(8) . . ?
C104 C101 C77 113.1(7) . . ?
C102 C101 C103 116.8(12) . . ?
C104 C101 C103 104.9(9) . . ?
C77 C101 C103 105.8(7) . . ?
O1 Cl1 O2 112.9(10) . . ?
O1 Cl1 O3 113.4(10) . . ?
O2 Cl1 O3 109.2(9) . . ?
O1 Cl1 O4 111.2(10) . . ?
O2 Cl1 O4 104.1(9) . . ?
O3 Cl1 O4 105.4(10) . . ?
O1A Cl1A O2A 108.8(11) . . ?
O1A Cl1A O3A 112.2(11) . . ?
O2A Cl1A O3A 110.6(11) . . ?
O1A Cl1A O4A 108.3(10) . . ?
O2A Cl1A O4A 107.3(10) . . ?
O3A Cl1A O4A 109.4(11) . . ?
C09 O03 C012 110.1(16) . . ?
O03 C09 C010 109(2) . . ?
C011 C012 O03 101.7(19) . . ?
C012 C011 C010 103.2(18) . . ?
C09 C010 C011 106.8(17) . . ?
C013 O04 C016 106.0(15) . . ?
O04 C013 C014 104.2(14) . . ?
C013 C014 C015 106.8(16) . . ?
C016 C015 C014 97(2) . . ?
O04 C016 C015 102.7(14) . . ?
C16' O04' C13' 106.2(12) . . ?
O04' C13' C14' 104.8(13) . . ?
C15' C14' C13' 95(2) . . ?
O04' C16' C15' 105.3(13) . . ?
C14' C15' C16' 100(2) . . ?

_refine_diff_density_max         0.947
_refine_diff_density_min         -0.961
_refine_diff_density_rms         0.124

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_dichloromethane
_database_code_depnum_ccdc_archive 'CCDC 1575027'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-11-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C104H91CuNP6Pt2(ClO4)(CH2Cl2)4
_chemical_formula_sum            'C108 H99 Cl9 Cu N O4 P6 Pt2'
_chemical_formula_weight         2433.47

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   15.370(5)
_cell_length_b                   26.440(8)
_cell_length_c                   25.463(8)
_cell_angle_alpha                90
_cell_angle_beta                 91.741(5)
_cell_angle_gamma                90
_cell_volume                     10343(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    15156
_cell_measurement_theta_min      2.1866
_cell_measurement_theta_max      27.5320

_exptl_crystal_description       Needle
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_F_000             4856
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    3.279
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_T_max  0.611
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27107
_diffrn_reflns_av_unetI/netI     0.0757
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.664
_diffrn_reflns_theta_max         27.489
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             11725
_reflns_number_gt                8980
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0805P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11725
_refine_ls_number_parameters     581
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0680
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.1610
_refine_ls_wR_factor_gt          0.1500
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.95600(2) 0.47734(2) 0.64835(2) 0.03525(10) Uani 1 1 d . . . . .
Cu1 Cu 1.000000 0.52747(4) 0.750000 0.0570(3) Uani 1 2 d S T P . .
P1 P 0.86170(10) 0.53724(6) 0.77033(6) 0.0373(3) Uani 1 1 d . . . . .
P2 P 0.81379(10) 0.47011(6) 0.67434(6) 0.0380(4) Uani 1 1 d . . . . .
P3 P 1.09461(10) 0.49391(6) 0.61817(6) 0.0385(3) Uani 1 1 d . . . . .
Cl1 Cl 0.500000 0.53559(16) 0.750000 0.1037(13) Uani 1 2 d DS TU P . .
Cl01 Cl 0.8767(3) 0.9689(3) 0.5930(3) 0.279(4) Uani 1 1 d . . . . .
Cl02 Cl 0.9641(4) 0.8770(3) 0.6235(3) 0.256(3) Uani 1 1 d . . . . .
O1 O 0.5599(8) 0.4960(5) 0.7442(6) 0.239(5) Uani 1 1 d D U . . .
O2 O 0.5329(10) 0.5705(4) 0.7151(6) 0.260(6) Uani 1 1 d D U . . .
N1 N 1.000000 0.3168(3) 0.750000 0.056(2) Uani 1 2 d S T P . .
H1A H 0.999998 0.349360 0.750001 0.068 Uiso 1 2 calc R U P . .
C1 C 0.8300(4) 0.6017(2) 0.7838(3) 0.0470(15) Uani 1 1 d . . . . .
C01 C 0.9126(15) 0.9328(9) 0.6439(6) 0.251(12) Uani 1 1 d . . . . .
H01A H 0.863717 0.923976 0.665275 0.301 Uiso 1 1 calc R U . . .
H01B H 0.953313 0.952317 0.665563 0.301 Uiso 1 1 calc R U . . .
C2 C 0.8946(5) 0.6394(3) 0.7902(3) 0.064(2) Uani 1 1 d . . . . .
H2A H 0.952629 0.629495 0.791255 0.077 Uiso 1 1 calc R U . . .
C3 C 0.8765(7) 0.6892(3) 0.7951(4) 0.088(3) Uani 1 1 d . . . . .
H3A H 0.920627 0.713252 0.797464 0.105 Uiso 1 1 calc R U . . .
C4 C 0.7913(9) 0.7029(3) 0.7963(4) 0.100(4) Uani 1 1 d . . . . .
H4A H 0.777091 0.736528 0.802337 0.120 Uiso 1 1 calc R U . . .
C5 C 0.7257(7) 0.6679(4) 0.7886(4) 0.098(3) Uani 1 1 d . . . . .
H5A H 0.668225 0.678714 0.785263 0.118 Uiso 1 1 calc R U . . .
C6 C 0.7448(5) 0.6173(3) 0.7860(3) 0.069(2) Uani 1 1 d . . . . .
H6A H 0.700102 0.593585 0.785740 0.082 Uiso 1 1 calc R U . . .
C7 C 0.8268(4) 0.4993(2) 0.8263(2) 0.0420(14) Uani 1 1 d . . . . .
H7A H 0.813127 0.465472 0.813750 0.050 Uiso 1 1 calc R U . . .
H7B H 0.773556 0.513811 0.839108 0.050 Uiso 1 1 calc R U . . .
C8 C 0.7814(4) 0.5217(2) 0.7169(3) 0.0446(16) Uani 1 1 d . . . . .
H8A H 0.726598 0.512818 0.732453 0.054 Uiso 1 1 calc R U . . .
H8B H 0.771413 0.551621 0.695529 0.054 Uiso 1 1 calc R U . . .
C9 C 0.7382(4) 0.4755(2) 0.6180(3) 0.0456(16) Uani 1 1 d . . . . .
C10 C 0.6649(5) 0.5044(3) 0.6168(3) 0.0558(17) Uani 1 1 d . . . . .
H10A H 0.654540 0.525920 0.644826 0.067 Uiso 1 1 calc R U . . .
C11 C 0.6066(5) 0.5028(4) 0.5759(4) 0.075(2) Uani 1 1 d . . . . .
H11A H 0.556017 0.522053 0.576608 0.090 Uiso 1 1 calc R U . . .
C12 C 0.6223(6) 0.4732(3) 0.5343(4) 0.078(3) Uani 1 1 d . . . . .
H12A H 0.582380 0.472649 0.506087 0.094 Uiso 1 1 calc R U . . .
C13 C 0.6961(6) 0.4435(4) 0.5324(3) 0.093(3) Uani 1 1 d . . . . .
H13A H 0.706077 0.422760 0.503717 0.112 Uiso 1 1 calc R U . . .
C14 C 0.7552(5) 0.4459(3) 0.5752(3) 0.067(2) Uani 1 1 d . . . . .
H14A H 0.806527 0.427328 0.574618 0.080 Uiso 1 1 calc R U . . .
C15 C 0.7724(4) 0.4140(3) 0.7083(3) 0.0483(15) Uani 1 1 d . . . . .
C16 C 0.6864(6) 0.4030(4) 0.7056(4) 0.102(4) Uani 1 1 d . . . . .
H16A H 0.649666 0.422213 0.683791 0.123 Uiso 1 1 calc R U . . .
C17 C 0.6519(7) 0.3641(5) 0.7343(5) 0.137(6) Uani 1 1 d . . . . .
H17A H 0.592306 0.357871 0.732680 0.165 Uiso 1 1 calc R U . . .
C18 C 0.7054(7) 0.3351(4) 0.7649(5) 0.103(4) Uani 1 1 d . . . . .
H18A H 0.683400 0.307578 0.783006 0.124 Uiso 1 1 calc R U . . .
C19 C 0.7944(6) 0.3468(3) 0.7692(4) 0.084(3) Uani 1 1 d . . . . .
H19A H 0.831453 0.327818 0.790953 0.101 Uiso 1 1 calc R U . . .
C20 C 0.8265(5) 0.3865(3) 0.7409(3) 0.069(2) Uani 1 1 d . . . . .
H20A H 0.885229 0.394778 0.743935 0.082 Uiso 1 1 calc R U . . .
C21 C 1.1447(4) 0.4465(3) 0.5765(3) 0.0480(16) Uani 1 1 d . . . . .
C22 C 1.1599(5) 0.3985(3) 0.5955(3) 0.064(2) Uani 1 1 d . . . . .
H22A H 1.148197 0.390603 0.630162 0.077 Uiso 1 1 calc R U . . .
C23 C 1.1931(6) 0.3617(3) 0.5621(4) 0.077(2) Uani 1 1 d . . . . .
H23A H 1.202073 0.328934 0.574521 0.092 Uiso 1 1 calc R U . . .
C24 C 1.2125(6) 0.3731(4) 0.5116(4) 0.089(3) Uani 1 1 d . . . . .
H24A H 1.234877 0.348318 0.489971 0.107 Uiso 1 1 calc R U . . .
C25 C 1.1995(5) 0.4199(4) 0.4932(3) 0.073(2) Uani 1 1 d . . . . .
H25A H 1.213285 0.427737 0.458806 0.088 Uiso 1 1 calc R U . . .
C26 C 1.1658(5) 0.4564(3) 0.5251(3) 0.0579(18) Uani 1 1 d . . . . .
H26A H 1.156887 0.488770 0.511799 0.069 Uiso 1 1 calc R U . . .
C27 C 1.1014(4) 0.5513(2) 0.5798(2) 0.0422(14) Uani 1 1 d . . . . .
C28 C 1.0375(4) 0.5596(3) 0.5410(3) 0.0524(16) Uani 1 1 d . . . . .
H28A H 0.991384 0.537014 0.537174 0.063 Uiso 1 1 calc R U . . .
C29 C 1.0418(5) 0.6008(3) 0.5082(3) 0.066(2) Uani 1 1 d . . . . .
H29A H 0.999312 0.605641 0.481913 0.080 Uiso 1 1 calc R U . . .
C30 C 1.1090(6) 0.6350(3) 0.5144(3) 0.072(2) Uani 1 1 d . . . . .
H30A H 1.111995 0.662564 0.491790 0.086 Uiso 1 1 calc R U . . .
C31 C 1.1716(5) 0.6288(3) 0.5534(3) 0.070(2) Uani 1 1 d . . . . .
H31A H 1.214999 0.652989 0.558342 0.083 Uiso 1 1 calc R U . . .
C32 C 1.1698(5) 0.5860(3) 0.5857(3) 0.0573(18) Uani 1 1 d . . . . .
H32A H 1.213869 0.580628 0.610981 0.069 Uiso 1 1 calc R U . . .
C33 C 0.9327(4) 0.5533(3) 0.6462(2) 0.0467(16) Uani 1 1 d . . . . .
C34 C 0.9095(4) 0.5952(3) 0.6433(3) 0.0501(16) Uani 1 1 d . . . . .
C35 C 0.8869(4) 0.64791(15) 0.6341(2) 0.0583(19) Uani 1 1 d G . . . .
C36 C 0.9432(3) 0.6801(2) 0.6085(2) 0.088(3) Uani 1 1 d G . . . .
H36A H 0.996564 0.668054 0.597502 0.106 Uiso 1 1 calc R U . . .
C37 C 0.9199(5) 0.7302(2) 0.5993(3) 0.113(4) Uani 1 1 d G . . . .
H37A H 0.957618 0.751661 0.582215 0.135 Uiso 1 1 calc R U . . .
C38 C 0.8402(5) 0.74810(16) 0.6158(3) 0.130(5) Uani 1 1 d G . . . .
H38A H 0.824583 0.781612 0.609639 0.156 Uiso 1 1 calc R U . . .
C39 C 0.7838(4) 0.7159(2) 0.6414(3) 0.106(4) Uani 1 1 d G . . . .
H39A H 0.730494 0.727955 0.652351 0.127 Uiso 1 1 calc R U . . .
C40 C 0.8072(3) 0.6659(2) 0.6505(2) 0.087(3) Uani 1 1 d G . . . .
H40A H 0.769439 0.644348 0.667639 0.104 Uiso 1 1 calc R U . . .
C41 C 0.9737(4) 0.4019(3) 0.6453(2) 0.0452(15) Uani 1 1 d . . . . .
C42 C 0.9820(5) 0.3572(3) 0.6436(3) 0.0570(18) Uani 1 1 d . . . . .
C43 C 0.9914(5) 0.3037(2) 0.6542(3) 0.0557(17) Uani 1 1 d . . . . .
C44 C 0.9973(4) 0.2872(3) 0.7060(3) 0.0560(18) Uani 1 1 d . . . . .
C45 C 0.9994(4) 0.2366(2) 0.7201(3) 0.0498(16) Uani 1 1 d . . . . .
C46 C 1.0013(5) 0.1998(3) 0.6799(3) 0.0594(19) Uani 1 1 d . . . . .
H46A H 1.003131 0.165689 0.688629 0.071 Uiso 1 1 calc R U . . .
C47 C 1.0005(5) 0.2139(3) 0.6282(3) 0.0596(19) Uani 1 1 d . . . . .
C48 C 0.9949(5) 0.2655(3) 0.6154(3) 0.0603(19) Uani 1 1 d . . . . .
H48A H 0.993318 0.274852 0.580164 0.072 Uiso 1 1 calc R U . . .
C49 C 1.0048(7) 0.1747(3) 0.5862(4) 0.080(3) Uani 1 1 d . . . . .
C50 C 0.9296(10) 0.1432(7) 0.5843(7) 0.237(12) Uani 1 1 d . . . . .
H50A H 0.920786 0.129136 0.618429 0.355 Uiso 1 1 calc R U . . .
H50B H 0.879702 0.162939 0.573586 0.355 Uiso 1 1 calc R U . . .
H50C H 0.937755 0.116416 0.559486 0.355 Uiso 1 1 calc R U . . .
C51 C 1.0843(10) 0.1420(5) 0.5926(7) 0.164(6) Uani 1 1 d . . . . .
H51A H 1.084841 0.126223 0.626508 0.246 Uiso 1 1 calc R U . . .
H51B H 1.083350 0.116516 0.565752 0.246 Uiso 1 1 calc R U . . .
H51C H 1.135477 0.162509 0.589523 0.246 Uiso 1 1 calc R U . . .
C52 C 1.0147(17) 0.1942(5) 0.5359(5) 0.272(15) Uani 1 1 d . . . . .
H52A H 1.064989 0.215695 0.535702 0.408 Uiso 1 1 calc R U . . .
H52B H 1.021982 0.166853 0.511567 0.408 Uiso 1 1 calc R U . . .
H52C H 0.963929 0.213376 0.525667 0.408 Uiso 1 1 calc R U . . .
Cl03 Cl 1.2826(6) 0.7844(5) 0.5839(7) 0.657(12) Uani 1 1 d D U . . .
Cl04 Cl 1.1238(7) 0.7888(6) 0.5929(6) 0.546(10) Uani 1 1 d D U . . .
C02 C 1.2125(14) 0.8171(12) 0.6224(12) 0.571(14) Uani 1 1 d D U . . .
H02B H 1.219383 0.809143 0.659527 0.685 Uiso 1 1 calc R U . . .
H02A H 1.214301 0.853399 0.616961 0.685 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C41 2.015(7) . ?
Pt1 C33 2.041(7) . ?
Pt1 P2 2.3108(17) . ?
Pt1 P3 2.3282(16) . ?
Pt1 Cu1 2.9678(9) . ?
Cu1 P1 2.2180(16) . ?
Cu1 P1 2.2180(16) 2_756 ?
P1 C1 1.808(7) . ?
P1 C7 1.837(6) . ?
P1 C8 1.856(6) . ?
P2 C8 1.820(6) . ?
P2 C9 1.824(7) . ?
P2 C15 1.839(7) . ?
P3 C27 1.809(6) . ?
P3 C21 1.828(7) . ?
P3 C7 1.837(6) 2_756 ?
Cl1 O2 1.387(7) 2_656 ?
Cl1 O2 1.387(7) . ?
Cl1 O1 1.403(8) 2_656 ?
Cl1 O1 1.403(8) . ?
Cl01 C01 1.69(2) . ?
Cl02 C01 1.761(18) . ?
N1 C44 1.367(8) . ?
N1 C44 1.367(8) 2_756 ?
C1 C6 1.376(9) . ?
C1 C2 1.414(9) . ?
C2 C3 1.352(11) . ?
C3 C4 1.358(14) . ?
C4 C5 1.377(14) . ?
C5 C6 1.372(12) . ?
C9 C10 1.361(9) . ?
C9 C14 1.375(10) . ?
C10 C11 1.352(10) . ?
C11 C12 1.346(12) . ?
C12 C13 1.380(12) . ?
C13 C14 1.399(10) . ?
C15 C16 1.353(10) . ?
C15 C20 1.367(10) . ?
C16 C17 1.377(12) . ?
C17 C18 1.356(15) . ?
C18 C19 1.403(13) . ?
C19 C20 1.373(10) . ?
C21 C22 1.375(10) . ?
C21 C26 1.381(10) . ?
C22 C23 1.399(11) . ?
C23 C24 1.362(13) . ?
C24 C25 1.336(13) . ?
C25 C26 1.374(10) . ?
C27 C28 1.389(9) . ?
C27 C32 1.400(9) . ?
C28 C29 1.377(10) . ?
C29 C30 1.378(11) . ?
C30 C31 1.371(11) . ?
C31 C32 1.402(10) . ?
C33 C34 1.165(9) . ?
C34 C35 1.454(8) . ?
C35 C36 1.3900 . ?
C35 C40 1.3900 . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C41 C42 1.190(9) . ?
C42 C43 1.444(9) . ?
C43 C44 1.390(10) . ?
C43 C48 1.416(10) . ?
C44 C45 1.388(9) . ?
C45 C46 1.413(9) . ?
C45 C45 1.521(13) 2_756 ?
C46 C47 1.368(10) . ?
C47 C48 1.405(9) . ?
C47 C49 1.491(11) . ?
C49 C52 1.393(14) . ?
C49 C50 1.423(17) . ?
C49 C51 1.501(15) . ?
Cl03 C02 1.713(10) . ?
Cl03 Cl04 2.462(12) . ?
Cl04 C02 1.711(10) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C41 Pt1 C33 175.7(3) . . ?
C41 Pt1 P2 93.41(19) . . ?
C33 Pt1 P2 85.53(19) . . ?
C41 Pt1 P3 92.71(19) . . ?
C33 Pt1 P3 88.15(19) . . ?
P2 Pt1 P3 173.24(5) . . ?
C41 Pt1 Cu1 116.63(17) . . ?
C33 Pt1 Cu1 67.58(19) . . ?
P2 Pt1 Cu1 88.83(4) . . ?
P3 Pt1 Cu1 90.99(4) . . ?
P1 Cu1 P1 166.63(10) . 2_756 ?
P1 Cu1 Pt1 92.47(4) . 2_756 ?
P1 Cu1 Pt1 93.49(4) 2_756 2_756 ?
P1 Cu1 Pt1 93.49(4) . . ?
P1 Cu1 Pt1 92.47(4) 2_756 . ?
Pt1 Cu1 Pt1 126.94(5) 2_756 . ?
C1 P1 C7 106.4(3) . . ?
C1 P1 C8 99.8(3) . . ?
C7 P1 C8 104.2(3) . . ?
C1 P1 Cu1 114.8(2) . . ?
C7 P1 Cu1 114.9(2) . . ?
C8 P1 Cu1 115.1(2) . . ?
C8 P2 C9 103.3(3) . . ?
C8 P2 C15 102.7(3) . . ?
C9 P2 C15 102.2(3) . . ?
C8 P2 Pt1 112.8(2) . . ?
C9 P2 Pt1 110.7(2) . . ?
C15 P2 Pt1 123.0(2) . . ?
C27 P3 C21 103.3(3) . . ?
C27 P3 C7 107.7(3) . 2_756 ?
C21 P3 C7 102.8(3) . 2_756 ?
C27 P3 Pt1 113.9(2) . . ?
C21 P3 Pt1 117.9(2) . . ?
C7 P3 Pt1 110.3(2) 2_756 . ?
O2 Cl1 O2 96.6(12) 2_656 . ?
O2 Cl1 O1 100.1(7) 2_656 2_656 ?
O2 Cl1 O1 144.7(10) . 2_656 ?
O2 Cl1 O1 144.7(10) 2_656 . ?
O2 Cl1 O1 100.1(7) . . ?
O1 Cl1 O1 83.7(13) 2_656 . ?
C44 N1 C44 110.2(8) . 2_756 ?
C6 C1 C2 116.6(7) . . ?
C6 C1 P1 123.6(6) . . ?
C2 C1 P1 119.7(5) . . ?
Cl01 C01 Cl02 112.8(10) . . ?
C3 C2 C1 123.5(8) . . ?
C2 C3 C4 117.5(9) . . ?
C3 C4 C5 121.4(9) . . ?
C6 C5 C4 120.3(9) . . ?
C5 C6 C1 120.0(9) . . ?
P1 C7 P3 116.0(3) . 2_756 ?
P2 C8 P1 114.5(3) . . ?
C10 C9 C14 118.6(7) . . ?
C10 C9 P2 124.8(5) . . ?
C14 C9 P2 116.6(5) . . ?
C11 C10 C9 121.9(7) . . ?
C12 C11 C10 119.6(8) . . ?
C11 C12 C13 121.7(8) . . ?
C12 C13 C14 117.5(8) . . ?
C9 C14 C13 120.6(8) . . ?
C16 C15 C20 119.4(7) . . ?
C16 C15 P2 120.1(6) . . ?
C20 C15 P2 120.1(5) . . ?
C15 C16 C17 121.7(9) . . ?
C18 C17 C16 119.4(9) . . ?
C17 C18 C19 119.5(9) . . ?
C20 C19 C18 119.5(9) . . ?
C15 C20 C19 120.3(8) . . ?
C22 C21 C26 117.8(7) . . ?
C22 C21 P3 119.9(6) . . ?
C26 C21 P3 122.3(5) . . ?
C21 C22 C23 119.3(8) . . ?
C24 C23 C22 120.8(8) . . ?
C25 C24 C23 120.3(8) . . ?
C24 C25 C26 119.8(8) . . ?
C25 C26 C21 122.1(8) . . ?
C28 C27 C32 119.0(6) . . ?
C28 C27 P3 117.7(5) . . ?
C32 C27 P3 123.2(5) . . ?
C29 C28 C27 120.7(7) . . ?
C28 C29 C30 120.0(7) . . ?
C31 C30 C29 120.7(7) . . ?
C30 C31 C32 119.8(7) . . ?
C27 C32 C31 119.6(7) . . ?
C34 C33 Pt1 172.1(7) . . ?
C33 C34 C35 173.1(7) . . ?
C36 C35 C40 120.0 . . ?
C36 C35 C34 120.8(4) . . ?
C40 C35 C34 119.2(4) . . ?
C37 C36 C35 120.0 . . ?
C36 C37 C38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C38 C39 C40 120.0 . . ?
C39 C40 C35 120.0 . . ?
C42 C41 Pt1 178.4(6) . . ?
C41 C42 C43 167.1(8) . . ?
C44 C43 C48 115.8(6) . . ?
C44 C43 C42 119.2(6) . . ?
C48 C43 C42 125.1(7) . . ?
N1 C44 C45 109.9(7) . . ?
N1 C44 C43 126.8(6) . . ?
C45 C44 C43 123.4(7) . . ?
C44 C45 C46 118.4(7) . . ?
C44 C45 C45 105.0(4) . 2_756 ?
C46 C45 C45 136.5(4) . 2_756 ?
C47 C46 C45 120.8(7) . . ?
C46 C47 C48 119.1(7) . . ?
C46 C47 C49 120.1(7) . . ?
C48 C47 C49 120.8(7) . . ?
C47 C48 C43 122.4(7) . . ?
C52 C49 C50 107.2(14) . . ?
C52 C49 C47 114.3(9) . . ?
C50 C49 C47 112.2(9) . . ?
C52 C49 C51 101.6(13) . . ?
C50 C49 C51 108.9(12) . . ?
C47 C49 C51 112.1(9) . . ?
C02 Cl03 Cl04 44.0(5) . . ?
C02 Cl04 Cl03 44.1(5) . . ?
Cl04 C02 Cl03 91.9(8) . . ?

_refine_diff_density_max         2.148
_refine_diff_density_min         -1.071
_refine_diff_density_rms         0.146

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_acetone
_database_code_depnum_ccdc_archive 'CCDC 1575026'
loop_
_audit_author_name
_audit_author_address
'Zhong-Ning Chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-06 deposited with the CCDC.	2019-11-23 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C104H91CuNP6Pt2(ClO4)(C3H6O)3
_chemical_formula_sum            'C113 H109 Cl Cu N O7 P6 Pt2'
_chemical_formula_weight         2268.00

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.935(3)
_cell_length_b                   16.420(4)
_cell_length_c                   21.180(4)
_cell_angle_alpha                73.227(3)
_cell_angle_beta                 84.428(6)
_cell_angle_gamma                88.948(6)
_cell_volume                     5280.6(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    14375
_cell_measurement_theta_min      2.0179
_cell_measurement_theta_max      27.5010

_exptl_crystal_description       Bloc
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_F_000             2284
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    3.012
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.352
_exptl_absorpt_correction_T_max  0.471
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45765
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.195
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             18379
_reflns_number_gt                16279
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0557P)²+6.5960P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18379
_refine_ls_number_parameters     1227
_refine_ls_number_restraints     248
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0449
_refine_ls_wR_factor_ref         0.1244
_refine_ls_wR_factor_gt          0.1149
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt -0.08938(2) 0.62116(2) 0.31964(2) 0.04049(8) Uani 1 1 d . . . . .
Pt2 Pt -0.38236(2) 0.67054(2) 0.14901(2) 0.04604(8) Uani 1 1 d . . . . .
Cu1 Cu -0.24407(4) 0.69119(5) 0.21808(3) 0.05118(18) Uani 1 1 d . . . . .
P1 P -0.18268(9) 0.61034(9) 0.41298(7) 0.0408(3) Uani 1 1 d . . . . .
P2 P -0.31893(9) 0.67238(10) 0.31594(7) 0.0424(3) Uani 1 1 d . . . . .
P3 P -0.47695(9) 0.66342(10) 0.24069(7) 0.0443(3) Uani 1 1 d . . . . .
P4 P -0.00097(9) 0.59585(10) 0.23411(7) 0.0422(3) Uani 1 1 d . . . . .
P5 P -0.14379(9) 0.66710(10) 0.14488(7) 0.0445(3) Uani 1 1 d . . . . .
P6 P -0.29048(10) 0.67110(12) 0.05705(7) 0.0523(4) Uani 1 1 d . . . . .
N1 N -0.3091(3) 0.3944(3) 0.2672(3) 0.0562(13) Uani 1 1 d . . . . .
H1A H -0.299008 0.448178 0.252339 0.067 Uiso 1 1 calc R U . . .
C1 C -0.1918(4) 0.6913(4) 0.4569(3) 0.0470(13) Uani 1 1 d . . . . .
C2 C -0.1211(4) 0.7409(4) 0.4570(3) 0.0551(15) Uani 1 1 d . . . . .
H2A H -0.070610 0.733905 0.433267 0.066 Uiso 1 1 calc R U . . .
C3 C -0.1262(5) 0.8000(5) 0.4922(4) 0.0699(19) Uani 1 1 d . . . . .
H3A H -0.079536 0.833972 0.490832 0.084 Uiso 1 1 calc R U . . .
C4 C -0.1998(6) 0.8091(5) 0.5294(4) 0.080(2) Uani 1 1 d . . . . .
H4A H -0.201947 0.847356 0.554482 0.096 Uiso 1 1 calc R U . . .
C5 C -0.2698(6) 0.7619(5) 0.5296(4) 0.081(2) Uani 1 1 d . . . . .
H5A H -0.319940 0.769312 0.553704 0.097 Uiso 1 1 calc R U . . .
C6 C -0.2659(5) 0.7028(5) 0.4936(3) 0.0666(18) Uani 1 1 d . . . . .
H6A H -0.313444 0.670543 0.494103 0.080 Uiso 1 1 calc R U . . .
C7 C -0.1678(3) 0.5136(3) 0.48005(19) 0.0511(14) Uani 1 1 d G . . . .
C8 C -0.0961(3) 0.4648(3) 0.4768(2) 0.094(3) Uani 1 1 d G . . . .
H8A H -0.055830 0.481404 0.440628 0.112 Uiso 1 1 calc R U . . .
C9 C -0.0848(4) 0.3912(3) 0.5277(3) 0.118(4) Uani 1 1 d G . . . .
H9A H -0.036835 0.358573 0.525521 0.142 Uiso 1 1 calc R U . . .
C10 C -0.1450(5) 0.3664(3) 0.5818(2) 0.099(3) Uani 1 1 d G . . . .
H10E H -0.137413 0.317138 0.615807 0.119 Uiso 1 1 calc R U . . .
C11 C -0.2167(4) 0.4151(4) 0.5850(2) 0.117(4) Uani 1 1 d G . . . .
H11A H -0.256986 0.398534 0.621201 0.140 Uiso 1 1 calc R U . . .
C12 C -0.2281(3) 0.4887(4) 0.5341(2) 0.106(3) Uani 1 1 d G . . . .
H12A H -0.275983 0.521365 0.536309 0.127 Uiso 1 1 calc R U . . .
C13 C -0.3321(4) 0.7712(4) 0.3385(3) 0.0497(14) Uani 1 1 d . . . . .
C14 C -0.2624(4) 0.8236(4) 0.3260(3) 0.0605(16) Uani 1 1 d . . . . .
H14A H -0.213257 0.810403 0.303599 0.073 Uiso 1 1 calc R U . . .
C15 C -0.2659(5) 0.8960(5) 0.3470(4) 0.078(2) Uani 1 1 d . . . . .
H15A H -0.217565 0.929186 0.341393 0.093 Uiso 1 1 calc R U . . .
C16 C -0.3381(6) 0.9192(6) 0.3755(5) 0.089(2) Uani 1 1 d . . . . .
H16A H -0.340124 0.969476 0.387514 0.107 Uiso 1 1 calc R U . . .
C17 C -0.4082(6) 0.8687(6) 0.3868(4) 0.096(3) Uani 1 1 d . . . . .
H17A H -0.458081 0.885046 0.406201 0.115 Uiso 1 1 calc R U . . .
C18 C -0.4059(5) 0.7937(5) 0.3696(4) 0.0695(19) Uani 1 1 d . . . . .
H18A H -0.453378 0.758587 0.378794 0.083 Uiso 1 1 calc R U . . .
C19 C -0.5349(4) 0.7601(4) 0.2445(3) 0.0615(17) Uani 1 1 d . . . . .
C20 C -0.5871(5) 0.7593(6) 0.3009(4) 0.084(2) Uani 1 1 d . . . . .
H20A H -0.587935 0.711587 0.337554 0.100 Uiso 1 1 calc R U . . .
C21 C -0.6365(6) 0.8249(8) 0.3043(6) 0.106(3) Uani 1 1 d . . . . .
H21A H -0.671168 0.823046 0.342621 0.128 Uiso 1 1 calc R U . . .
C22 C -0.6349(6) 0.8947(7) 0.2500(8) 0.119(4) Uani 1 1 d . . . . .
H22A H -0.667493 0.941485 0.252409 0.143 Uiso 1 1 calc R U . . .
C23 C -0.5875(6) 0.8977(6) 0.1930(7) 0.116(4) Uani 1 1 d . . . . .
H23A H -0.590304 0.944368 0.155879 0.140 Uiso 1 1 calc R U . . .
C24 C -0.5341(5) 0.8299(5) 0.1902(5) 0.085(2) Uani 1 1 d . . . . .
H24A H -0.498710 0.832167 0.152052 0.102 Uiso 1 1 calc R U . . .
C25 C -0.5646(4) 0.5877(4) 0.2547(3) 0.0529(15) Uani 1 1 d . . . . .
C26 C -0.5702(5) 0.5122(6) 0.3034(4) 0.091(3) Uani 1 1 d . . . . .
H26A H -0.528331 0.498414 0.332281 0.109 Uiso 1 1 calc R U . . .
C27 C -0.6362(7) 0.4551(7) 0.3112(5) 0.123(4) Uani 1 1 d . . . . .
H27A H -0.638552 0.402984 0.343844 0.147 Uiso 1 1 calc R U . . .
C28 C -0.6986(6) 0.4793(8) 0.2681(6) 0.106(4) Uani 1 1 d . . . . .
H28A H -0.745140 0.443781 0.273346 0.127 Uiso 1 1 calc R U . . .
C29 C -0.6933(5) 0.5543(7) 0.2181(6) 0.097(3) Uani 1 1 d . . . . .
H29A H -0.734799 0.569142 0.188960 0.117 Uiso 1 1 calc R U . . .
C30 C -0.6254(4) 0.6070(6) 0.2121(4) 0.080(2) Uani 1 1 d . . . . .
H30A H -0.620797 0.657452 0.177717 0.095 Uiso 1 1 calc R U . . .
C31 C -0.2883(3) 0.5956(4) 0.3916(3) 0.0443(13) Uani 1 1 d . . . . .
H31A H -0.328559 0.598699 0.428280 0.053 Uiso 1 1 calc R U . . .
H31B H -0.292415 0.538920 0.386782 0.053 Uiso 1 1 calc R U . . .
C32 C -0.4237(3) 0.6283(4) 0.3166(3) 0.0464(13) Uani 1 1 d . . . . .
H32A H -0.459893 0.641299 0.351872 0.056 Uiso 1 1 calc R U . . .
H32B H -0.418922 0.566866 0.328058 0.056 Uiso 1 1 calc R U . . .
C33 C 0.0488(3) 0.4933(4) 0.2617(3) 0.0500(14) Uani 1 1 d . . . . .
C34 C 0.0674(4) 0.4635(5) 0.3270(3) 0.0686(19) Uani 1 1 d . . . . .
H34A H 0.056766 0.497296 0.355259 0.082 Uiso 1 1 calc R U . . .
C35 C 0.1020(5) 0.3829(6) 0.3504(5) 0.093(3) Uani 1 1 d . . . . .
H35A H 0.113221 0.362789 0.394428 0.111 Uiso 1 1 calc R U . . .
C36 C 0.1194(6) 0.3333(6) 0.3086(6) 0.099(3) Uani 1 1 d . . . . .
H36A H 0.142504 0.279734 0.324513 0.119 Uiso 1 1 calc R U . . .
C37 C 0.1030(7) 0.3622(6) 0.2437(6) 0.117(4) Uani 1 1 d . . . . .
H37A H 0.114990 0.328578 0.215413 0.141 Uiso 1 1 calc R U . . .
C38 C 0.0675(5) 0.4443(5) 0.2201(4) 0.083(2) Uani 1 1 d . . . . .
H38A H 0.056886 0.464677 0.175864 0.099 Uiso 1 1 calc R U . . .
C39 C 0.0863(4) 0.6655(4) 0.1915(3) 0.0502(14) Uani 1 1 d . . . . .
C40 C 0.1277(4) 0.7090(5) 0.2262(4) 0.0712(19) Uani 1 1 d . . . . .
H40A H 0.108693 0.703618 0.270141 0.085 Uiso 1 1 calc R U . . .
C41 C 0.1971(5) 0.7604(6) 0.1971(5) 0.095(3) Uani 1 1 d . . . . .
H41A H 0.224400 0.790061 0.220604 0.114 Uiso 1 1 calc R U . . .
C42 C 0.2244(6) 0.7662(6) 0.1318(6) 0.111(3) Uani 1 1 d . . . . .
H42A H 0.271632 0.799421 0.111532 0.133 Uiso 1 1 calc R U . . .
C43 C 0.1841(6) 0.7249(8) 0.0973(5) 0.114(4) Uani 1 1 d . . . . .
H43A H 0.202827 0.730397 0.053237 0.137 Uiso 1 1 calc R U . . .
C44 C 0.1158(5) 0.6750(5) 0.1268(4) 0.077(2) Uani 1 1 d . . . . .
H44A H 0.088379 0.646574 0.102372 0.092 Uiso 1 1 calc R U . . .
C45 C -0.0801(4) 0.7588(4) 0.0991(3) 0.0550(15) Uani 1 1 d . . . . .
C46 C -0.0418(5) 0.7700(5) 0.0362(4) 0.083(2) Uani 1 1 d . . . . .
H46A H -0.052757 0.732500 0.012365 0.100 Uiso 1 1 calc R U . . .
C47 C 0.0134(7) 0.8380(7) 0.0087(5) 0.126(4) Uani 1 1 d . . . . .
H47A H 0.040247 0.844635 -0.033453 0.151 Uiso 1 1 calc R U . . .
C48 C 0.0295(6) 0.8950(6) 0.0411(5) 0.100(3) Uani 1 1 d . . . . .
H48A H 0.067137 0.939852 0.021482 0.120 Uiso 1 1 calc R U . . .
C49 C -0.0098(6) 0.8861(5) 0.1026(5) 0.094(3) Uani 1 1 d . . . . .
H49A H 0.001531 0.924344 0.125661 0.112 Uiso 1 1 calc R U . . .
C50 C -0.0673(5) 0.8195(5) 0.1312(4) 0.074(2) Uani 1 1 d . . . . .
H50A H -0.097076 0.815750 0.171989 0.089 Uiso 1 1 calc R U . . .
C51 C -0.3238(5) 0.6051(5) 0.0075(3) 0.0659(18) Uani 1 1 d . . . . .
C52 C -0.2701(6) 0.5573(7) -0.0186(5) 0.116(4) Uani 1 1 d . . . . .
H52A H -0.214231 0.553028 -0.008812 0.140 Uiso 1 1 calc R U . . .
C53 C -0.2985(7) 0.5127(8) -0.0612(5) 0.127(4) Uani 1 1 d . . . . .
H53A H -0.261589 0.479498 -0.079778 0.153 Uiso 1 1 calc R U . . .
C54 C -0.3816(7) 0.5196(8) -0.0745(5) 0.115(4) Uani 1 1 d . . . . .
H54A H -0.401395 0.489720 -0.101346 0.138 Uiso 1 1 calc R U . . .
C55 C -0.4332(5) 0.5682(6) -0.0496(4) 0.090(3) Uani 1 1 d . . . . .
H55A H -0.489007 0.572620 -0.059527 0.108 Uiso 1 1 calc R U . . .
C56 C -0.4055(5) 0.6143(6) -0.0078(4) 0.080(2) Uani 1 1 d . . . . .
H56A H -0.442009 0.649700 0.008759 0.095 Uiso 1 1 calc DR U . . .
C57 C -0.2635(5) 0.7712(5) -0.0058(3) 0.0673(18) Uani 1 1 d . . . . .
C58 C -0.3010(8) 0.8430(7) -0.0045(4) 0.129(4) Uani 1 1 d . . . . .
H58A H -0.341337 0.841655 0.030549 0.154 Uiso 1 1 calc DR U . . .
C59 C -0.2842(10) 0.9203(9) -0.0521(6) 0.188(8) Uani 1 1 d . . . . .
H59A H -0.313620 0.969541 -0.051516 0.226 Uiso 1 1 calc DR U . . .
C60 C -0.2200(12) 0.9182(10) -0.1006(7) 0.170(8) Uani 1 1 d . . . . .
H60A H -0.200941 0.968983 -0.131147 0.203 Uiso 1 1 calc R U . . .
C61 C -0.1838(9) 0.8435(13) -0.1049(6) 0.175(7) Uani 1 1 d . . . . .
H61A H -0.145524 0.842851 -0.140822 0.210 Uiso 1 1 calc R U . . .
C62 C -0.2038(6) 0.7720(8) -0.0574(4) 0.128(4) Uani 1 1 d . . . . .
H62A H -0.176992 0.721706 -0.059023 0.153 Uiso 1 1 calc R U . . .
C63 C -0.0663(3) 0.5839(4) 0.1710(3) 0.0457(13) Uani 1 1 d . . . . .
H63A H -0.029427 0.581756 0.132290 0.055 Uiso 1 1 calc R U . . .
H63B H -0.095887 0.529748 0.187790 0.055 Uiso 1 1 calc R U . . .
C64 C -0.1904(4) 0.6256(4) 0.0845(3) 0.0542(15) Uani 1 1 d . . . . .
H64A H -0.150021 0.634200 0.045749 0.065 Uiso 1 1 calc R U . . .
H64B H -0.198516 0.564673 0.103554 0.065 Uiso 1 1 calc R U . . .
C65 C -0.1365(4) 0.5054(4) 0.3252(3) 0.0460(13) Uani 1 1 d . . . . .
C66 C -0.1608(4) 0.4366(4) 0.3296(3) 0.0497(14) Uani 1 1 d . . . . .
C67 C -0.1903(4) 0.3515(4) 0.3398(3) 0.0574(16) Uani 1 1 d . . . . .
C68 C -0.1529(5) 0.2810(4) 0.3807(4) 0.0646(18) Uani 1 1 d . . . . .
H68A H -0.105397 0.289213 0.400422 0.078 Uiso 1 1 calc R U . . .
C69 C -0.1839(5) 0.1992(4) 0.3929(4) 0.076(2) Uani 1 1 d . . . . .
C70 C -0.2586(5) 0.1851(4) 0.3650(4) 0.078(2) Uani 1 1 d . . . . .
H70A H -0.281133 0.130540 0.374441 0.094 Uiso 1 1 calc R U . . .
C71 C -0.2977(4) 0.2550(4) 0.3230(3) 0.0614(17) Uani 1 1 d . . . . .
C72 C -0.2626(4) 0.3354(4) 0.3098(3) 0.0530(15) Uani 1 1 d . . . . .
C73 C -0.3717(4) 0.2651(4) 0.2881(3) 0.0606(17) Uani 1 1 d . . . . .
C74 C -0.4395(5) 0.2111(5) 0.2851(4) 0.074(2) Uani 1 1 d . . . . .
H74A H -0.439850 0.153694 0.308560 0.088 Uiso 1 1 calc R U . . .
C75 C -0.5052(5) 0.2448(5) 0.2469(4) 0.071(2) Uani 1 1 d . . . . .
C76 C -0.5046(5) 0.3311(5) 0.2117(4) 0.0686(19) Uani 1 1 d . . . . .
H76A H -0.549205 0.352717 0.186891 0.082 Uiso 1 1 calc R U . . .
C77 C -0.4382(4) 0.3866(4) 0.2127(3) 0.0573(16) Uani 1 1 d . . . . .
C78 C -0.3741(4) 0.3520(4) 0.2528(3) 0.0559(16) Uani 1 1 d . . . . .
C79 C -0.4323(4) 0.4750(5) 0.1790(3) 0.0585(16) Uani 1 1 d . . . . .
C80 C -0.4165(4) 0.5509(4) 0.1591(3) 0.0530(15) Uani 1 1 d . . . . .
C81 C -0.1394(8) 0.1240(6) 0.4381(6) 0.116(4) Uani 1 1 d . . . . .
C82 C -0.0415(11) 0.1258(10) 0.4099(8) 0.196(7) Uani 1 1 d . . . . .
H82A H -0.015973 0.178379 0.409698 0.294 Uiso 1 1 calc R U . . .
H82B H -0.012893 0.079075 0.437742 0.294 Uiso 1 1 calc R U . . .
H82C H -0.037426 0.120966 0.365643 0.294 Uiso 1 1 calc R U . . .
C83 C -0.1325(10) 0.1367(8) 0.5038(6) 0.178(7) Uani 1 1 d . . . . .
H83A H -0.117448 0.194883 0.498314 0.267 Uiso 1 1 calc R U . . .
H83B H -0.185652 0.123537 0.530228 0.267 Uiso 1 1 calc R U . . .
H83C H -0.089913 0.100013 0.525603 0.267 Uiso 1 1 calc R U . . .
C84 C -0.1618(10) 0.0401(6) 0.4332(11) 0.294(14) Uani 1 1 d . . . . .
H84A H -0.163581 0.042752 0.387421 0.441 Uiso 1 1 calc R U . . .
H84B H -0.120412 -0.000524 0.452094 0.441 Uiso 1 1 calc R U . . .
H84C H -0.216152 0.023000 0.456718 0.441 Uiso 1 1 calc R U . . .
C85 C -0.5831(5) 0.1925(6) 0.2468(5) 0.087(3) Uani 1 1 d . . . . .
C86 C -0.5903(10) 0.1842(12) 0.1806(7) 0.219(9) Uani 1 1 d . . . . .
H86A H -0.539445 0.160117 0.165691 0.328 Uiso 1 1 calc R U . . .
H86B H -0.637259 0.147656 0.182088 0.328 Uiso 1 1 calc R U . . .
H86C H -0.598787 0.239222 0.150485 0.328 Uiso 1 1 calc R U . . .
C87 C -0.5749(10) 0.1006(9) 0.2878(11) 0.244(10) Uani 1 1 d . . . . .
H87A H -0.524635 0.076910 0.271681 0.366 Uiso 1 1 calc R U . . .
H87B H -0.571928 0.098259 0.333304 0.366 Uiso 1 1 calc R U . . .
H87C H -0.623096 0.068420 0.284245 0.366 Uiso 1 1 calc R U . . .
C88 C -0.6564(7) 0.2275(9) 0.2699(10) 0.222(10) Uani 1 1 d . . . . .
H88A H -0.650336 0.232355 0.313355 0.334 Uiso 1 1 calc R U . . .
H88B H -0.665317 0.282785 0.240374 0.334 Uiso 1 1 calc R U . . .
H88C H -0.703789 0.191219 0.271976 0.334 Uiso 1 1 calc R U . . .
C89 C -0.0453(4) 0.7377(4) 0.3096(3) 0.0589(16) Uani 1 1 d . . . . .
C90 C -0.0200(5) 0.8097(4) 0.3006(3) 0.0682(19) Uani 1 1 d . . . . .
C91 C 0.0104(4) 0.8944(3) 0.2903(3) 0.086(2) Uani 1 1 d G U . . .
C92 C 0.0859(4) 0.9069(4) 0.3141(3) 0.134(4) Uani 1 1 d G U . . .
H92A H 0.115941 0.860419 0.336964 0.161 Uiso 1 1 calc R U . . .
C93 C 0.1165(5) 0.9889(5) 0.3038(4) 0.183(5) Uani 1 1 d G U . . .
H93A H 0.167003 0.997302 0.319699 0.219 Uiso 1 1 calc R U . . .
C94 C 0.0716(6) 1.0584(3) 0.2696(4) 0.196(6) Uani 1 1 d G U . . .
H94A H 0.092026 1.113280 0.262659 0.235 Uiso 1 1 calc R U . . .
C95 C -0.0040(6) 1.0459(3) 0.2458(4) 0.174(5) Uani 1 1 d G U . . .
H95A H -0.034015 1.092377 0.222886 0.209 Uiso 1 1 calc R U . . .
C96 C -0.0346(4) 0.9639(4) 0.2561(3) 0.125(3) Uani 1 1 d G U . . .
H96A H -0.085079 0.955493 0.240151 0.150 Uiso 1 1 calc R U . . .
C97 C -0.3392(4) 0.7832(4) 0.1540(3) 0.0494(14) Uani 1 1 d . . . . .
C98 C -0.3170(4) 0.8506(5) 0.1581(3) 0.0596(17) Uani 1 1 d . . . . .
C99 C -0.2971(5) 0.9342(4) 0.1625(4) 0.074(2) Uani 1 1 d . . . . .
C100 C -0.3456(6) 0.9727(5) 0.2018(5) 0.086(2) Uani 1 1 d . . . . .
H10A H -0.393892 0.945043 0.226162 0.104 Uiso 1 1 calc R U . . .
C101 C -0.3248(8) 1.0511(7) 0.2061(6) 0.119(4) Uani 1 1 d . . . . .
H10B H -0.356750 1.075207 0.235111 0.143 Uiso 1 1 calc R U . . .
C102 C -0.2584(9) 1.0925(8) 0.1685(9) 0.162(6) Uani 1 1 d . . . . .
H10C H -0.246734 1.147368 0.169491 0.195 Uiso 1 1 calc R U . . .
C103 C -0.2104(8) 1.0599(8) 0.1313(10) 0.193(9) Uani 1 1 d . . . . .
H10F H -0.163942 1.090670 0.106415 0.232 Uiso 1 1 calc DR U . . .
C104 C -0.2259(6) 0.9795(6) 0.1273(7) 0.133(5) Uani 1 1 d . . . . .
H10D H -0.189065 0.955481 0.101033 0.160 Uiso 1 1 calc R U . . .
Cl1 Cl 0.000000 0.500000 0.000000 0.1173(12) Uani 0.489(14) 2 d DS U P A 1
O1 O -0.0620(9) 0.4851(9) 0.0565(6) 0.127(6) Uani 0.489(14) 1 d D U P A 1
O2 O 0.018(2) 0.4210(12) -0.0132(17) 0.244(12) Uani 0.489(14) 1 d D U P A 1
Cl12 Cl 0.000000 0.500000 0.000000 0.1173(12) Uani 0.511(14) 2 d DS . P A 2
O7 O 0.0574(11) 0.5391(14) 0.0321(9) 0.161(7) Uani 0.511(14) 1 d D U P A 2
O8 O -0.0481(12) 0.5692(13) -0.0406(11) 0.189(9) Uani 0.511(14) 1 d D U P A 2
O5 O -0.5716(6) 0.5515(8) 0.5658(5) 0.105(4) Uani 0.5 1 d D U P . .
Cl2 Cl -0.5174(3) 0.5378(4) 0.5118(2) 0.1064(17) Uani 0.5 1 d D U P . .
O4 O -0.4528(8) 0.4796(12) 0.5311(6) 0.297(7) Uani 1 1 d D U . . .
O3 O -0.4836(15) 0.6153(9) 0.4694(11) 0.286(11) Uani 0.5 1 d D U P . .
O02 O -0.1018(14) 1.2969(16) 0.1849(10) 0.440(12) Uani 1 1 d D U . . .
C05 C -0.1287(17) 1.3009(19) 0.1320(12) 0.439(13) Uani 1 1 d D U . . .
C04 C -0.2092(13) 1.3428(17) 0.1129(13) 0.432(14) Uani 1 1 d D U . . .
H04A H -0.218958 1.339118 0.069755 0.648 Uiso 1 1 calc R U . . .
H04B H -0.254494 1.314853 0.144531 0.648 Uiso 1 1 calc R U . . .
H04C H -0.206307 1.401433 0.111971 0.648 Uiso 1 1 calc R U . . .
C06 C -0.0922(15) 1.2415(14) 0.0977(13) 0.461(14) Uani 1 1 d D U . . .
H06A H -0.117290 1.249678 0.056968 0.691 Uiso 1 1 calc R U . . .
H06B H -0.032487 1.251443 0.088403 0.691 Uiso 1 1 calc R U . . .
H06C H -0.102759 1.184300 0.125256 0.691 Uiso 1 1 calc DR U . . .
O03 O -0.6061(13) 0.8253(13) 0.4793(14) 0.454(13) Uani 1 1 d D U . . .
C09 C -0.5248(10) 0.7334(17) 0.5533(9) 0.350(12) Uani 1 1 d D U . . .
H09A H -0.520160 0.673059 0.572451 0.525 Uiso 1 1 calc R U . . .
H09B H -0.472125 0.755837 0.529108 0.525 Uiso 1 1 calc R U . . .
H09C H -0.538306 0.759852 0.587914 0.525 Uiso 1 1 calc R U . . .
C07 C -0.6603(12) 0.6893(15) 0.5101(12) 0.368(12) Uani 1 1 d D U . . .
H07A H -0.643426 0.633043 0.533361 0.552 Uiso 1 1 calc R U . . .
H07B H -0.710957 0.703826 0.532801 0.552 Uiso 1 1 calc R U . . .
H07C H -0.670626 0.691017 0.465861 0.552 Uiso 1 1 calc R U . . .
C08 C -0.5925(16) 0.7510(13) 0.5077(16) 0.391(12) Uani 1 1 d D U . . .
O01 O -0.565(2) 0.841(3) 0.011(3) 0.56(3) Uani 0.576(13) 1 d D U P B 1
C01 C -0.4444(12) 0.9278(16) -0.028(3) 0.58(3) Uani 0.576(13) 1 d D U P B 1
H01A H -0.432957 0.984050 -0.057038 0.876 Uiso 0.576(13) 1 calc DR U P B 1
H01B H -0.428230 0.924610 0.015213 0.876 Uiso 0.576(13) 1 calc DR U P B 1
H01C H -0.412909 0.887253 -0.045163 0.876 Uiso 0.576(13) 1 calc R U P B 1
C02 C -0.5362(16) 0.909(3) -0.023(3) 0.56(3) Uani 0.576(13) 1 d D U P B 1
C03 C -0.584(2) 0.960(4) -0.077(3) 0.56(3) Uani 0.576(13) 1 d D U P B 1
H03A H -0.553076 1.011515 -0.099410 0.843 Uiso 0.576(13) 1 calc R U P B 1
H03B H -0.590740 0.928091 -0.107728 0.843 Uiso 0.576(13) 1 calc R U P B 1
H03C H -0.637941 0.973167 -0.058814 0.843 Uiso 0.576(13) 1 calc R U P B 1
O01A O -0.5894(19) 0.8714(12) -0.0184(13) 0.186(9) Uani 0.424(13) 1 d D U P B 2
C01A C -0.5503(7) 0.7327(11) 0.0427(10) 0.171(10) Uani 0.424(13) 1 d D U P B 2
H01D H -0.553570 0.677367 0.036178 0.256 Uiso 0.424(13) 1 calc DR U P B 2
H01E H -0.492488 0.746584 0.044417 0.256 Uiso 0.424(13) 1 calc DR U P B 2
H01F H -0.582281 0.732630 0.083495 0.256 Uiso 0.424(13) 1 calc R U P B 2
C02A C -0.5846(16) 0.7957(13) -0.0122(11) 0.148(8) Uani 0.424(13) 1 d D U P B 2
C03A C -0.6182(17) 0.7575(18) -0.0593(12) 0.160(9) Uani 0.424(13) 1 d D U P B 2
H03D H -0.608438 0.697314 -0.046049 0.240 Uiso 0.424(13) 1 calc R U P B 2
H03E H -0.677620 0.767706 -0.059882 0.240 Uiso 0.424(13) 1 calc R U P B 2
H03F H -0.590355 0.782422 -0.102768 0.240 Uiso 0.424(13) 1 calc R U P B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 C89 1.996(7) . ?
Pt1 C65 2.025(6) . ?
Pt1 P4 2.3143(15) . ?
Pt1 P1 2.3209(14) . ?
Pt2 C80 1.994(7) . ?
Pt2 C97 2.019(7) . ?
Pt2 P3 2.3159(15) . ?
Pt2 P6 2.3180(16) . ?
Pt2 Cu1 2.8375(9) . ?
Cu1 P5 2.2280(16) . ?
Cu1 P2 2.2312(16) . ?
Cu1 C97 2.357(6) . ?
P1 C31 1.823(5) . ?
P1 C1 1.826(6) . ?
P1 C7 1.830(3) . ?
P2 C13 1.823(6) . ?
P2 C32 1.829(5) . ?
P2 C31 1.833(5) . ?
P3 C32 1.830(6) . ?
P3 C25 1.832(6) . ?
P3 C19 1.840(7) . ?
P4 C39 1.809(6) . ?
P4 C33 1.811(6) . ?
P4 C63 1.827(5) . ?
P5 C45 1.806(6) . ?
P5 C63 1.825(6) . ?
P5 C64 1.833(6) . ?
P6 C57 1.819(8) . ?
P6 C64 1.823(6) . ?
P6 C51 1.829(7) . ?
N1 C78 1.364(7) . ?
N1 C72 1.378(8) . ?
C1 C6 1.389(9) . ?
C1 C2 1.402(8) . ?
C2 C3 1.382(9) . ?
C3 C4 1.380(11) . ?
C4 C5 1.369(11) . ?
C5 C6 1.396(9) . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 C12 1.3900 . ?
C13 C14 1.375(8) . ?
C13 C18 1.389(9) . ?
C14 C15 1.383(9) . ?
C15 C16 1.348(11) . ?
C16 C17 1.364(12) . ?
C17 C18 1.380(10) . ?
C19 C24 1.370(10) . ?
C19 C20 1.384(10) . ?
C20 C21 1.336(11) . ?
C21 C22 1.369(15) . ?
C22 C23 1.349(15) . ?
C23 C24 1.401(11) . ?
C25 C30 1.360(9) . ?
C25 C26 1.363(10) . ?
C26 C27 1.387(11) . ?
C27 C28 1.391(14) . ?
C28 C29 1.371(14) . ?
C29 C30 1.370(11) . ?
C33 C38 1.365(9) . ?
C33 C34 1.386(9) . ?
C34 C35 1.395(10) . ?
C35 C36 1.372(13) . ?
C36 C37 1.367(14) . ?
C37 C38 1.423(11) . ?
C39 C44 1.372(9) . ?
C39 C40 1.378(9) . ?
C40 C41 1.384(10) . ?
C41 C42 1.385(13) . ?
C42 C43 1.343(13) . ?
C43 C44 1.361(11) . ?
C45 C46 1.373(9) . ?
C45 C50 1.387(10) . ?
C46 C47 1.386(12) . ?
C47 C48 1.351(14) . ?
C48 C49 1.359(12) . ?
C49 C50 1.396(10) . ?
C51 C52 1.338(11) . ?
C51 C56 1.366(10) . ?
C52 C53 1.425(12) . ?
C53 C54 1.376(13) . ?
C54 C55 1.313(12) . ?
C55 C56 1.425(10) . ?
C57 C58 1.318(12) . ?
C57 C62 1.375(11) . ?
C58 C59 1.386(15) . ?
C59 C60 1.39(2) . ?
C60 C61 1.37(2) . ?
C61 C62 1.328(17) . ?
C65 C66 1.175(8) . ?
C66 C67 1.431(8) . ?
C67 C68 1.393(9) . ?
C67 C72 1.433(9) . ?
C68 C69 1.384(9) . ?
C69 C70 1.430(10) . ?
C69 C81 1.536(11) . ?
C70 C71 1.410(10) . ?
C71 C72 1.385(8) . ?
C71 C73 1.435(9) . ?
C73 C78 1.407(9) . ?
C73 C74 1.428(9) . ?
C74 C75 1.393(11) . ?
C75 C76 1.397(11) . ?
C75 C85 1.524(10) . ?
C76 C77 1.414(9) . ?
C77 C78 1.399(9) . ?
C77 C79 1.420(10) . ?
C79 C80 1.217(9) . ?
C81 C84 1.464(14) . ?
C81 C83 1.482(16) . ?
C81 C82 1.613(19) . ?
C85 C88 1.400(14) . ?
C85 C86 1.463(14) . ?
C85 C87 1.520(17) . ?
C89 C90 1.213(9) . ?
C90 C91 1.429(7) . ?
C91 C92 1.3900 . ?
C91 C96 1.3900 . ?
C92 C93 1.3900 . ?
C93 C94 1.3900 . ?
C94 C95 1.3900 . ?
C95 C96 1.3900 . ?
C97 C98 1.199(9) . ?
C98 C99 1.446(10) . ?
C99 C100 1.359(11) . ?
C99 C104 1.394(11) . ?
C100 C101 1.366(12) . ?
C101 C102 1.330(16) . ?
C102 C103 1.266(18) . ?
C103 C104 1.375(15) . ?
Cl1 O2 1.424(9) . ?
Cl1 O2 1.424(9) 2_565 ?
Cl1 O1 1.442(8) 2_565 ?
Cl1 O1 1.442(8) . ?
O1 O2 1.67(2) 2_565 ?
Cl12 O7 1.451(8) . ?
Cl12 O7 1.451(8) 2_565 ?
Cl12 O8 1.467(9) . ?
Cl12 O8 1.467(9) 2_565 ?
O7 O8 1.74(2) 2_565 ?
O5 Cl2 1.433(8) . ?
Cl2 O4 1.173(15) 2_466 ?
Cl2 O4 1.400(8) . ?
Cl2 O3 1.410(9) . ?
Cl2 Cl2 1.543(13) 2_466 ?
O02 C05 1.223(10) . ?
C05 C06 1.456(10) . ?
C05 C04 1.479(10) . ?
O03 C08 1.221(10) . ?
C09 C08 1.487(10) . ?
C07 C08 1.483(10) . ?
O01 C02 1.209(10) . ?
C01 C02 1.490(10) . ?
C02 C03 1.475(10) . ?
O01A C02A 1.214(9) . ?
C01A C02A 1.459(9) . ?
C02A C03A 1.467(9) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C89 Pt1 C65 177.0(2) . . ?
C89 Pt1 P4 96.24(18) . . ?
C65 Pt1 P4 82.60(16) . . ?
C89 Pt1 P1 97.35(18) . . ?
C65 Pt1 P1 84.02(16) . . ?
P4 Pt1 P1 165.81(5) . . ?
C80 Pt2 C97 170.0(2) . . ?
C80 Pt2 P3 86.54(18) . . ?
C97 Pt2 P3 89.45(17) . . ?
C80 Pt2 P6 90.57(18) . . ?
C97 Pt2 P6 93.49(17) . . ?
P3 Pt2 P6 177.06(6) . . ?
C80 Pt2 Cu1 115.92(18) . . ?
C97 Pt2 Cu1 54.99(17) . . ?
P3 Pt2 Cu1 91.68(4) . . ?
P6 Pt2 Cu1 90.05(4) . . ?
P5 Cu1 P2 157.58(7) . . ?
P5 Cu1 C97 105.04(15) . . ?
P2 Cu1 C97 96.78(15) . . ?
P5 Cu1 Pt2 96.26(5) . . ?
P2 Cu1 Pt2 95.66(5) . . ?
C97 Cu1 Pt2 44.56(16) . . ?
C31 P1 C1 106.1(3) . . ?
C31 P1 C7 102.9(2) . . ?
C1 P1 C7 102.0(2) . . ?
C31 P1 Pt1 107.78(18) . . ?
C1 P1 Pt1 123.38(19) . . ?
C7 P1 Pt1 112.74(16) . . ?
C13 P2 C32 108.1(3) . . ?
C13 P2 C31 103.8(3) . . ?
C32 P2 C31 97.7(3) . . ?
C13 P2 Cu1 112.2(2) . . ?
C32 P2 Cu1 111.53(18) . . ?
C31 P2 Cu1 122.06(19) . . ?
C32 P3 C25 104.1(3) . . ?
C32 P3 C19 106.4(3) . . ?
C25 P3 C19 100.4(3) . . ?
C32 P3 Pt2 110.30(19) . . ?
C25 P3 Pt2 115.89(19) . . ?
C19 P3 Pt2 118.3(2) . . ?
C39 P4 C33 103.0(3) . . ?
C39 P4 C63 107.1(3) . . ?
C33 P4 C63 103.9(3) . . ?
C39 P4 Pt1 123.0(2) . . ?
C33 P4 Pt1 110.4(2) . . ?
C63 P4 Pt1 107.93(19) . . ?
C45 P5 C63 103.5(3) . . ?
C45 P5 C64 107.5(3) . . ?
C63 P5 C64 98.4(3) . . ?
C45 P5 Cu1 115.0(2) . . ?
C63 P5 Cu1 120.36(19) . . ?
C64 P5 Cu1 110.3(2) . . ?
C57 P6 C64 105.6(3) . . ?
C57 P6 C51 102.0(3) . . ?
C64 P6 C51 104.2(3) . . ?
C57 P6 Pt2 119.6(3) . . ?
C64 P6 Pt2 109.05(19) . . ?
C51 P6 Pt2 114.9(2) . . ?
C78 N1 C72 107.6(5) . . ?
C6 C1 C2 118.2(6) . . ?
C6 C1 P1 122.0(5) . . ?
C2 C1 P1 119.7(5) . . ?
C3 C2 C1 120.3(6) . . ?
C4 C3 C2 120.5(7) . . ?
C5 C4 C3 120.2(7) . . ?
C4 C5 C6 119.8(7) . . ?
C1 C6 C5 120.9(7) . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 119.9(3) . . ?
C12 C7 P1 120.1(3) . . ?
C9 C8 C7 120.0 . . ?
C10 C9 C8 120.0 . . ?
C9 C10 C11 120.0 . . ?
C12 C11 C10 120.0 . . ?
C11 C12 C7 120.0 . . ?
C14 C13 C18 119.5(6) . . ?
C14 C13 P2 116.5(5) . . ?
C18 C13 P2 124.0(5) . . ?
C13 C14 C15 119.4(7) . . ?
C16 C15 C14 121.2(7) . . ?
C15 C16 C17 119.8(7) . . ?
C16 C17 C18 120.7(8) . . ?
C17 C18 C13 119.3(7) . . ?
C24 C19 C20 119.2(7) . . ?
C24 C19 P3 121.0(6) . . ?
C20 C19 P3 119.5(6) . . ?
C21 C20 C19 122.2(10) . . ?
C20 C21 C22 118.4(10) . . ?
C23 C22 C21 121.9(9) . . ?
C22 C23 C24 119.5(11) . . ?
C19 C24 C23 118.8(9) . . ?
C30 C25 C26 118.6(7) . . ?
C30 C25 P3 117.5(6) . . ?
C26 C25 P3 123.8(5) . . ?
C25 C26 C27 122.2(8) . . ?
C26 C27 C28 116.9(10) . . ?
C29 C28 C27 121.6(8) . . ?
C30 C29 C28 118.5(9) . . ?
C25 C30 C29 122.0(9) . . ?
P1 C31 P2 115.5(3) . . ?
P2 C32 P3 117.9(3) . . ?
C38 C33 C34 119.3(6) . . ?
C38 C33 P4 121.6(5) . . ?
C34 C33 P4 119.1(5) . . ?
C33 C34 C35 120.2(8) . . ?
C36 C35 C34 120.2(8) . . ?
C37 C36 C35 120.5(8) . . ?
C36 C37 C38 119.2(9) . . ?
C33 C38 C37 120.6(8) . . ?
C44 C39 C40 117.8(6) . . ?
C44 C39 P4 123.3(5) . . ?
C40 C39 P4 118.8(5) . . ?
C39 C40 C41 121.5(7) . . ?
C40 C41 C42 117.8(8) . . ?
C43 C42 C41 121.3(8) . . ?
C42 C43 C44 119.9(9) . . ?
C43 C44 C39 121.7(8) . . ?
C46 C45 C50 118.9(7) . . ?
C46 C45 P5 124.1(6) . . ?
C50 C45 P5 117.0(5) . . ?
C45 C46 C47 119.0(8) . . ?
C48 C47 C46 122.3(9) . . ?
C47 C48 C49 119.2(8) . . ?
C48 C49 C50 120.1(8) . . ?
C45 C50 C49 120.2(7) . . ?
C52 C51 C56 121.0(7) . . ?
C52 C51 P6 122.6(6) . . ?
C56 C51 P6 116.0(6) . . ?
C51 C52 C53 119.9(9) . . ?
C54 C53 C52 118.8(9) . . ?
C55 C54 C53 120.5(9) . . ?
C54 C55 C56 121.4(8) . . ?
C51 C56 C55 118.3(7) . . ?
C58 C57 C62 118.6(9) . . ?
C58 C57 P6 122.1(7) . . ?
C62 C57 P6 119.2(7) . . ?
C57 C58 C59 124.3(11) . . ?
C60 C59 C58 114.5(13) . . ?
C61 C60 C59 121.8(13) . . ?
C62 C61 C60 119.5(13) . . ?
C61 C62 C57 120.9(12) . . ?
P5 C63 P4 115.9(3) . . ?
P6 C64 P5 116.8(3) . . ?
C66 C65 Pt1 177.1(6) . . ?
C65 C66 C67 176.1(7) . . ?
C68 C67 C66 122.5(6) . . ?
C68 C67 C72 116.7(6) . . ?
C66 C67 C72 120.8(6) . . ?
C69 C68 C67 122.4(6) . . ?
C68 C69 C70 119.9(7) . . ?
C68 C69 C81 119.9(7) . . ?
C70 C69 C81 120.2(6) . . ?
C71 C70 C69 119.1(6) . . ?
C72 C71 C70 119.2(6) . . ?
C72 C71 C73 106.4(6) . . ?
C70 C71 C73 134.4(6) . . ?
N1 C72 C71 110.2(6) . . ?
N1 C72 C67 127.2(5) . . ?
C71 C72 C67 122.6(6) . . ?
C78 C73 C74 118.5(7) . . ?
C78 C73 C71 105.9(5) . . ?
C74 C73 C71 135.5(7) . . ?
C75 C74 C73 119.7(7) . . ?
C74 C75 C76 120.0(7) . . ?
C74 C75 C85 122.1(8) . . ?
C76 C75 C85 117.6(8) . . ?
C75 C76 C77 122.1(7) . . ?
C78 C77 C76 116.9(6) . . ?
C78 C77 C79 116.9(6) . . ?
C76 C77 C79 126.1(7) . . ?
N1 C78 C77 127.4(6) . . ?
N1 C78 C73 109.9(6) . . ?
C77 C78 C73 122.7(6) . . ?
C80 C79 C77 167.3(7) . . ?
C79 C80 Pt2 165.9(6) . . ?
C84 C81 C83 120.1(12) . . ?
C84 C81 C69 115.1(8) . . ?
C83 C81 C69 111.1(10) . . ?
C84 C81 C82 98.1(12) . . ?
C83 C81 C82 101.2(10) . . ?
C69 C81 C82 108.6(10) . . ?
C88 C85 C86 110.9(12) . . ?
C88 C85 C87 109.8(12) . . ?
C86 C85 C87 102.3(11) . . ?
C88 C85 C75 111.4(8) . . ?
C86 C85 C75 110.6(8) . . ?
C87 C85 C75 111.4(8) . . ?
C90 C89 Pt1 177.0(6) . . ?
C89 C90 C91 179.6(10) . . ?
C92 C91 C96 120.0 . . ?
C92 C91 C90 119.5(5) . . ?
C96 C91 C90 120.5(5) . . ?
C91 C92 C93 120.0 . . ?
C94 C93 C92 120.0 . . ?
C93 C94 C95 120.0 . . ?
C94 C95 C96 120.0 . . ?
C95 C96 C91 120.0 . . ?
C98 C97 Pt2 177.1(6) . . ?
C98 C97 Cu1 101.0(5) . . ?
Pt2 C97 Cu1 80.4(2) . . ?
C97 C98 C99 175.4(7) . . ?
C100 C99 C104 116.2(8) . . ?
C100 C99 C98 122.2(7) . . ?
C104 C99 C98 121.6(8) . . ?
C99 C100 C101 121.3(9) . . ?
C102 C101 C100 119.2(11) . . ?
C103 C102 C101 122.4(12) . . ?
C102 C103 C104 120.9(12) . . ?
C103 C104 C99 119.9(11) . . ?
O2 Cl1 O2 180.0 . 2_565 ?
O2 Cl1 O1 71.5(10) . 2_565 ?
O2 Cl1 O1 108.5(10) 2_565 2_565 ?
O2 Cl1 O1 108.5(10) . . ?
O2 Cl1 O1 71.5(10) 2_565 . ?
O1 Cl1 O1 180.0(9) 2_565 . ?
Cl1 O1 O2 53.8(6) . 2_565 ?
Cl1 O2 O1 54.8(6) . 2_565 ?
O7 Cl12 O8 106.6(10) . . ?
O7 Cl12 O8 73.4(10) 2_565 . ?
O4 Cl2 O4 106.9(9) 2_466 . ?
O4 Cl2 O3 92.8(12) 2_466 . ?
O4 Cl2 O3 110.3(9) . . ?
O4 Cl2 O5 119.3(9) 2_466 . ?
O4 Cl2 O5 114.3(8) . . ?
O3 Cl2 O5 111.1(9) . . ?
O4 Cl2 Cl2 60.2(6) 2_466 2_466 ?
O4 Cl2 Cl2 46.6(7) . 2_466 ?
O3 Cl2 Cl2 110.6(9) . 2_466 ?
O5 Cl2 Cl2 138.2(7) . 2_466 ?
Cl2 O4 Cl2 73.1(9) 2_466 . ?
O02 C05 C06 115.9(15) . . ?
O02 C05 C04 122.3(16) . . ?
C06 C05 C04 119.3(15) . . ?
O03 C08 C07 116.1(15) . . ?
O03 C08 C09 117.4(16) . . ?
C07 C08 C09 123.7(15) . . ?
O01 C02 C03 120(2) . . ?
O01 C02 C01 120(2) . . ?
C03 C02 C01 116.6(17) . . ?
O01A C02A C01A 125.4(15) . . ?
O01A C02A C03A 121.9(15) . . ?
C01A C02A C03A 112.6(13) . . ?

_refine_diff_density_max         1.033
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.101

